USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 GLN : amide:sc= 0.468 K(o=1,f=-7!) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 169:sc= 0.527 (180deg=0) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.176 (180deg=-0.652) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -139:sc= 0.874 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -113:sc= 0.463 (180deg=0.371) USER MOD Single : A 19 LYS NZ :NH3+ -160:sc= 0.841 (180deg=0.594) USER MOD Single : A 20 LYS NZ :NH3+ 140:sc= 0.424 (180deg=-1.09) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -40:sc= 0.494 USER MOD Single : A 36 LYS NZ :NH3+ -108:sc= 0.9 (180deg=-0.132) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.35) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -150:sc= -0.0488 (180deg=-1.33!) USER MOD Single : A 48 GLN : amide:sc= 0.171 K(o=0.17,f=-4!) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00105) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 170:sc=-0.00168 (180deg=-0.088) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= 0.293 (180deg=0.0374) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD Single : A 68 ASN : amide:sc=-0.000639 X(o=-0.00064,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.932 X(o=-0.93,f=-0.51) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.0429 X(o=-0.043,f=-0.26) USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0131) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS :FLIP no HE2:sc= 0.121 F(o=-0.7,f=0.12) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.245 K(o=-0.25,f=-0.77) USER MOD Single : A 97 HIS : no HE2:sc= -0.0339 K(o=-0.034,f=-0.86) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.433 15.357 -7.628 1.00 0.00 N ATOM 2 CA MET A 1 1.000 15.400 -7.288 1.00 52.33 C ATOM 3 C MET A 1 1.286 14.407 -6.141 1.00 52.44 C ATOM 4 O MET A 1 0.900 14.632 -4.993 1.00 45.32 O ATOM 5 CB MET A 1 1.452 16.854 -6.948 1.00 52.14 C ATOM 6 CG MET A 1 0.626 17.587 -5.868 1.00 20.42 C ATOM 7 SD MET A 1 1.283 19.222 -5.467 1.00 42.40 S ATOM 8 CE MET A 1 2.908 18.810 -4.818 1.00 32.13 C ATOM 0 H1 MET A 1 -0.627 16.026 -8.401 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.689 14.395 -7.930 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.996 15.620 -6.794 1.00 0.00 H new ATOM 0 HA MET A 1 1.589 15.093 -8.152 1.00 52.33 H new ATOM 0 HB2 MET A 1 2.492 16.823 -6.622 1.00 52.14 H new ATOM 0 HB3 MET A 1 1.422 17.445 -7.863 1.00 52.14 H new ATOM 0 HG2 MET A 1 -0.403 17.689 -6.212 1.00 20.42 H new ATOM 0 HG3 MET A 1 0.600 16.980 -4.963 1.00 20.42 H new ATOM 0 HE1 MET A 1 3.273 19.632 -4.202 1.00 32.13 H new ATOM 0 HE2 MET A 1 2.840 17.906 -4.213 1.00 32.13 H new ATOM 0 HE3 MET A 1 3.598 18.643 -5.645 1.00 32.13 H new ATOM 20 N GLY A 2 1.924 13.279 -6.490 1.00 71.05 N ATOM 21 CA GLY A 2 2.240 12.221 -5.535 1.00 60.24 C ATOM 22 C GLY A 2 1.250 11.077 -5.626 1.00 55.03 C ATOM 23 O GLY A 2 0.195 11.105 -4.978 1.00 31.53 O ATOM 0 H GLY A 2 2.232 13.081 -7.442 1.00 71.05 H new ATOM 0 HA2 GLY A 2 3.247 11.848 -5.723 1.00 60.24 H new ATOM 0 HA3 GLY A 2 2.235 12.628 -4.524 1.00 60.24 H new ATOM 27 N ARG A 3 1.574 10.097 -6.484 1.00 55.52 N ATOM 28 CA ARG A 3 0.809 8.847 -6.609 1.00 1.51 C ATOM 29 C ARG A 3 0.932 8.029 -5.314 1.00 0.41 C ATOM 30 O ARG A 3 1.998 8.024 -4.678 1.00 42.13 O ATOM 31 CB ARG A 3 1.330 8.021 -7.813 1.00 74.14 C ATOM 32 CG ARG A 3 1.167 8.708 -9.188 1.00 42.13 C ATOM 33 CD ARG A 3 -0.308 8.888 -9.598 1.00 43.14 C ATOM 34 NE ARG A 3 -0.444 9.513 -10.928 1.00 3.11 N ATOM 35 CZ ARG A 3 -1.243 9.081 -11.919 1.00 50.54 C ATOM 36 NH1 ARG A 3 -2.010 7.995 -11.772 1.00 2.32 N ATOM 37 NH2 ARG A 3 -1.276 9.752 -13.058 1.00 1.50 N ATOM 0 H ARG A 3 2.376 10.150 -7.112 1.00 55.52 H new ATOM 0 HA ARG A 3 -0.240 9.088 -6.778 1.00 1.51 H new ATOM 0 HB2 ARG A 3 2.386 7.801 -7.655 1.00 74.14 H new ATOM 0 HB3 ARG A 3 0.805 7.066 -7.835 1.00 74.14 H new ATOM 0 HG2 ARG A 3 1.653 9.683 -9.161 1.00 42.13 H new ATOM 0 HG3 ARG A 3 1.680 8.117 -9.947 1.00 42.13 H new ATOM 0 HD2 ARG A 3 -0.803 7.917 -9.602 1.00 43.14 H new ATOM 0 HD3 ARG A 3 -0.817 9.503 -8.856 1.00 43.14 H new ATOM 0 HE ARG A 3 0.117 10.345 -11.111 1.00 3.11 H new ATOM 0 HH11 ARG A 3 -1.996 7.476 -10.894 1.00 2.32 H new ATOM 0 HH12 ARG A 3 -2.609 7.686 -12.538 1.00 2.32 H new ATOM 0 HH21 ARG A 3 -0.700 10.585 -13.176 1.00 1.50 H new ATOM 0 HH22 ARG A 3 -1.877 9.436 -13.819 1.00 1.50 H new ATOM 51 N LEU A 4 -0.168 7.371 -4.922 1.00 65.34 N ATOM 52 CA LEU A 4 -0.213 6.518 -3.726 1.00 32.42 C ATOM 53 C LEU A 4 -0.687 5.098 -4.078 1.00 54.35 C ATOM 54 O LEU A 4 -1.746 4.928 -4.696 1.00 30.30 O ATOM 55 CB LEU A 4 -1.152 7.144 -2.663 1.00 50.54 C ATOM 56 CG LEU A 4 -1.196 6.415 -1.283 1.00 4.14 C ATOM 57 CD1 LEU A 4 0.179 6.458 -0.599 1.00 12.42 C ATOM 58 CD2 LEU A 4 -2.298 6.990 -0.371 1.00 62.51 C ATOM 0 H LEU A 4 -1.053 7.415 -5.426 1.00 65.34 H new ATOM 0 HA LEU A 4 0.796 6.449 -3.318 1.00 32.42 H new ATOM 0 HB2 LEU A 4 -0.845 8.177 -2.498 1.00 50.54 H new ATOM 0 HB3 LEU A 4 -2.163 7.173 -3.070 1.00 50.54 H new ATOM 0 HG LEU A 4 -1.447 5.370 -1.467 1.00 4.14 H new ATOM 0 HD11 LEU A 4 0.124 5.944 0.361 1.00 12.42 H new ATOM 0 HD12 LEU A 4 0.916 5.965 -1.233 1.00 12.42 H new ATOM 0 HD13 LEU A 4 0.473 7.495 -0.439 1.00 12.42 H new ATOM 0 HD21 LEU A 4 -2.298 6.457 0.580 1.00 62.51 H new ATOM 0 HD22 LEU A 4 -2.108 8.049 -0.194 1.00 62.51 H new ATOM 0 HD23 LEU A 4 -3.268 6.871 -0.853 1.00 62.51 H new ATOM 70 N VAL A 5 0.119 4.092 -3.701 1.00 32.30 N ATOM 71 CA VAL A 5 -0.294 2.679 -3.679 1.00 75.22 C ATOM 72 C VAL A 5 -0.558 2.289 -2.219 1.00 35.31 C ATOM 73 O VAL A 5 0.279 2.545 -1.357 1.00 43.14 O ATOM 74 CB VAL A 5 0.783 1.709 -4.307 1.00 73.45 C ATOM 75 CG1 VAL A 5 0.389 0.215 -4.147 1.00 11.25 C ATOM 76 CG2 VAL A 5 1.031 2.038 -5.795 1.00 34.22 C ATOM 0 H VAL A 5 1.083 4.237 -3.401 1.00 32.30 H new ATOM 0 HA VAL A 5 -1.190 2.575 -4.291 1.00 75.22 H new ATOM 0 HB VAL A 5 1.708 1.870 -3.754 1.00 73.45 H new ATOM 0 HG11 VAL A 5 1.159 -0.414 -4.594 1.00 11.25 H new ATOM 0 HG12 VAL A 5 0.294 -0.025 -3.088 1.00 11.25 H new ATOM 0 HG13 VAL A 5 -0.562 0.034 -4.647 1.00 11.25 H new ATOM 0 HG21 VAL A 5 1.777 1.354 -6.200 1.00 34.22 H new ATOM 0 HG22 VAL A 5 0.100 1.930 -6.352 1.00 34.22 H new ATOM 0 HG23 VAL A 5 1.391 3.063 -5.886 1.00 34.22 H new ATOM 86 N VAL A 6 -1.731 1.706 -1.935 1.00 72.32 N ATOM 87 CA VAL A 6 -2.067 1.202 -0.594 1.00 41.23 C ATOM 88 C VAL A 6 -2.070 -0.333 -0.648 1.00 60.25 C ATOM 89 O VAL A 6 -2.975 -0.939 -1.209 1.00 32.22 O ATOM 90 CB VAL A 6 -3.445 1.757 -0.078 1.00 44.23 C ATOM 91 CG1 VAL A 6 -3.784 1.218 1.333 1.00 72.35 C ATOM 92 CG2 VAL A 6 -3.465 3.306 -0.100 1.00 23.14 C ATOM 0 H VAL A 6 -2.471 1.570 -2.624 1.00 72.32 H new ATOM 0 HA VAL A 6 -1.319 1.552 0.118 1.00 41.23 H new ATOM 0 HB VAL A 6 -4.217 1.399 -0.760 1.00 44.23 H new ATOM 0 HG11 VAL A 6 -4.743 1.623 1.656 1.00 72.35 H new ATOM 0 HG12 VAL A 6 -3.841 0.130 1.303 1.00 72.35 H new ATOM 0 HG13 VAL A 6 -3.007 1.521 2.035 1.00 72.35 H new ATOM 0 HG21 VAL A 6 -4.429 3.663 0.262 1.00 23.14 H new ATOM 0 HG22 VAL A 6 -2.672 3.689 0.542 1.00 23.14 H new ATOM 0 HG23 VAL A 6 -3.307 3.657 -1.120 1.00 23.14 H new ATOM 102 N VAL A 7 -1.007 -0.939 -0.134 1.00 32.45 N ATOM 103 CA VAL A 7 -0.855 -2.393 -0.071 1.00 50.12 C ATOM 104 C VAL A 7 -1.529 -2.911 1.207 1.00 24.13 C ATOM 105 O VAL A 7 -1.176 -2.488 2.308 1.00 64.01 O ATOM 106 CB VAL A 7 0.658 -2.792 -0.079 1.00 40.53 C ATOM 107 CG1 VAL A 7 0.860 -4.320 -0.131 1.00 3.54 C ATOM 108 CG2 VAL A 7 1.418 -2.081 -1.219 1.00 25.33 C ATOM 0 H VAL A 7 -0.214 -0.430 0.257 1.00 32.45 H new ATOM 0 HA VAL A 7 -1.328 -2.840 -0.946 1.00 50.12 H new ATOM 0 HB VAL A 7 1.081 -2.453 0.866 1.00 40.53 H new ATOM 0 HG11 VAL A 7 1.926 -4.546 -0.135 1.00 3.54 H new ATOM 0 HG12 VAL A 7 0.395 -4.778 0.742 1.00 3.54 H new ATOM 0 HG13 VAL A 7 0.402 -4.717 -1.037 1.00 3.54 H new ATOM 0 HG21 VAL A 7 2.466 -2.379 -1.198 1.00 25.33 H new ATOM 0 HG22 VAL A 7 0.980 -2.360 -2.177 1.00 25.33 H new ATOM 0 HG23 VAL A 7 1.345 -1.001 -1.087 1.00 25.33 H new ATOM 118 N VAL A 8 -2.488 -3.820 1.047 1.00 14.43 N ATOM 119 CA VAL A 8 -3.281 -4.391 2.149 1.00 1.15 C ATOM 120 C VAL A 8 -3.217 -5.920 2.062 1.00 62.30 C ATOM 121 O VAL A 8 -2.873 -6.474 1.015 1.00 73.23 O ATOM 122 CB VAL A 8 -4.782 -3.908 2.103 1.00 22.12 C ATOM 123 CG1 VAL A 8 -4.890 -2.370 2.262 1.00 50.10 C ATOM 124 CG2 VAL A 8 -5.483 -4.381 0.810 1.00 71.54 C ATOM 0 H VAL A 8 -2.746 -4.192 0.133 1.00 14.43 H new ATOM 0 HA VAL A 8 -2.860 -4.047 3.094 1.00 1.15 H new ATOM 0 HB VAL A 8 -5.296 -4.364 2.949 1.00 22.12 H new ATOM 0 HG11 VAL A 8 -5.938 -2.073 2.225 1.00 50.10 H new ATOM 0 HG12 VAL A 8 -4.462 -2.072 3.219 1.00 50.10 H new ATOM 0 HG13 VAL A 8 -4.346 -1.882 1.453 1.00 50.10 H new ATOM 0 HG21 VAL A 8 -6.516 -4.033 0.808 1.00 71.54 H new ATOM 0 HG22 VAL A 8 -4.961 -3.975 -0.056 1.00 71.54 H new ATOM 0 HG23 VAL A 8 -5.467 -5.470 0.765 1.00 71.54 H new ATOM 134 N THR A 9 -3.522 -6.599 3.172 1.00 31.22 N ATOM 135 CA THR A 9 -3.560 -8.078 3.227 1.00 74.12 C ATOM 136 C THR A 9 -4.996 -8.597 3.415 1.00 52.13 C ATOM 137 O THR A 9 -5.214 -9.809 3.544 1.00 61.24 O ATOM 138 CB THR A 9 -2.644 -8.602 4.373 1.00 31.42 C ATOM 139 OG1 THR A 9 -3.043 -8.006 5.619 1.00 63.41 O ATOM 140 CG2 THR A 9 -1.158 -8.292 4.110 1.00 3.23 C ATOM 0 H THR A 9 -3.750 -6.149 4.058 1.00 31.22 H new ATOM 0 HA THR A 9 -3.189 -8.456 2.274 1.00 74.12 H new ATOM 0 HB THR A 9 -2.757 -9.685 4.418 1.00 31.42 H new ATOM 0 HG1 THR A 9 -2.246 -7.769 6.138 1.00 63.41 H new ATOM 0 HG21 THR A 9 -0.555 -8.675 4.934 1.00 3.23 H new ATOM 0 HG22 THR A 9 -0.846 -8.768 3.180 1.00 3.23 H new ATOM 0 HG23 THR A 9 -1.020 -7.214 4.030 1.00 3.23 H new ATOM 148 N SER A 10 -5.979 -7.682 3.405 1.00 63.31 N ATOM 149 CA SER A 10 -7.399 -8.021 3.573 1.00 2.44 C ATOM 150 C SER A 10 -8.240 -7.261 2.538 1.00 15.42 C ATOM 151 O SER A 10 -8.039 -6.057 2.341 1.00 42.41 O ATOM 152 CB SER A 10 -7.858 -7.674 5.005 1.00 65.13 C ATOM 153 OG SER A 10 -7.103 -8.374 5.984 1.00 43.44 O ATOM 0 H SER A 10 -5.809 -6.684 3.280 1.00 63.31 H new ATOM 0 HA SER A 10 -7.535 -9.091 3.416 1.00 2.44 H new ATOM 0 HB2 SER A 10 -7.759 -6.601 5.169 1.00 65.13 H new ATOM 0 HB3 SER A 10 -8.914 -7.918 5.117 1.00 65.13 H new ATOM 0 HG SER A 10 -7.420 -8.129 6.878 1.00 43.44 H new ATOM 159 N GLU A 11 -9.153 -7.984 1.861 1.00 54.03 N ATOM 160 CA GLU A 11 -10.092 -7.408 0.871 1.00 22.50 C ATOM 161 C GLU A 11 -11.026 -6.359 1.519 1.00 43.32 C ATOM 162 O GLU A 11 -11.409 -5.391 0.872 1.00 31.13 O ATOM 163 CB GLU A 11 -10.913 -8.543 0.194 1.00 65.01 C ATOM 164 CG GLU A 11 -11.980 -8.082 -0.835 1.00 72.43 C ATOM 165 CD GLU A 11 -11.392 -7.304 -2.024 1.00 41.33 C ATOM 166 OE1 GLU A 11 -10.823 -7.943 -2.938 1.00 21.22 O ATOM 167 OE2 GLU A 11 -11.498 -6.059 -2.071 1.00 11.32 O ATOM 0 H GLU A 11 -9.263 -8.991 1.984 1.00 54.03 H new ATOM 0 HA GLU A 11 -9.510 -6.893 0.107 1.00 22.50 H new ATOM 0 HB2 GLU A 11 -10.220 -9.218 -0.307 1.00 65.01 H new ATOM 0 HB3 GLU A 11 -11.412 -9.119 0.973 1.00 65.01 H new ATOM 0 HG2 GLU A 11 -12.512 -8.956 -1.211 1.00 72.43 H new ATOM 0 HG3 GLU A 11 -12.714 -7.455 -0.329 1.00 72.43 H new ATOM 174 N GLN A 12 -11.354 -6.561 2.813 1.00 34.43 N ATOM 175 CA GLN A 12 -12.171 -5.617 3.613 1.00 14.32 C ATOM 176 C GLN A 12 -11.525 -4.212 3.623 1.00 21.14 C ATOM 177 O GLN A 12 -12.219 -3.193 3.624 1.00 41.11 O ATOM 178 CB GLN A 12 -12.319 -6.156 5.065 1.00 10.32 C ATOM 179 CG GLN A 12 -13.235 -5.311 5.981 1.00 13.12 C ATOM 180 CD GLN A 12 -13.272 -5.742 7.458 1.00 53.53 C ATOM 181 OE1 GLN A 12 -13.447 -4.909 8.352 1.00 51.43 O ATOM 182 NE2 GLN A 12 -13.135 -7.035 7.738 1.00 54.01 N ATOM 0 H GLN A 12 -11.060 -7.386 3.336 1.00 34.43 H new ATOM 0 HA GLN A 12 -13.159 -5.533 3.160 1.00 14.32 H new ATOM 0 HB2 GLN A 12 -12.710 -7.172 5.022 1.00 10.32 H new ATOM 0 HB3 GLN A 12 -11.330 -6.214 5.518 1.00 10.32 H new ATOM 0 HG2 GLN A 12 -12.910 -4.272 5.932 1.00 13.12 H new ATOM 0 HG3 GLN A 12 -14.250 -5.347 5.584 1.00 13.12 H new ATOM 0 HE21 GLN A 12 -12.991 -7.707 6.985 1.00 54.01 H new ATOM 0 HE22 GLN A 12 -13.174 -7.354 8.706 1.00 54.01 H new ATOM 191 N LEU A 13 -10.181 -4.197 3.631 1.00 45.33 N ATOM 192 CA LEU A 13 -9.376 -2.968 3.561 1.00 71.02 C ATOM 193 C LEU A 13 -9.288 -2.453 2.105 1.00 20.11 C ATOM 194 O LEU A 13 -9.443 -1.264 1.865 1.00 13.31 O ATOM 195 CB LEU A 13 -7.959 -3.235 4.134 1.00 72.00 C ATOM 196 CG LEU A 13 -7.898 -3.741 5.610 1.00 64.24 C ATOM 197 CD1 LEU A 13 -6.455 -4.121 6.018 1.00 24.44 C ATOM 198 CD2 LEU A 13 -8.509 -2.697 6.575 1.00 51.15 C ATOM 0 H LEU A 13 -9.619 -5.046 3.687 1.00 45.33 H new ATOM 0 HA LEU A 13 -9.859 -2.197 4.160 1.00 71.02 H new ATOM 0 HB2 LEU A 13 -7.465 -3.970 3.499 1.00 72.00 H new ATOM 0 HB3 LEU A 13 -7.381 -2.313 4.063 1.00 72.00 H new ATOM 0 HG LEU A 13 -8.499 -4.648 5.680 1.00 64.24 H new ATOM 0 HD11 LEU A 13 -6.449 -4.469 7.051 1.00 24.44 H new ATOM 0 HD12 LEU A 13 -6.089 -4.914 5.366 1.00 24.44 H new ATOM 0 HD13 LEU A 13 -5.809 -3.248 5.925 1.00 24.44 H new ATOM 0 HD21 LEU A 13 -8.455 -3.071 7.597 1.00 51.15 H new ATOM 0 HD22 LEU A 13 -7.952 -1.763 6.501 1.00 51.15 H new ATOM 0 HD23 LEU A 13 -9.551 -2.520 6.307 1.00 51.15 H new ATOM 210 N LYS A 14 -9.054 -3.380 1.144 1.00 74.20 N ATOM 211 CA LYS A 14 -8.879 -3.050 -0.298 1.00 61.23 C ATOM 212 C LYS A 14 -10.095 -2.295 -0.863 1.00 70.55 C ATOM 213 O LYS A 14 -9.957 -1.163 -1.382 1.00 72.04 O ATOM 214 CB LYS A 14 -8.605 -4.350 -1.109 1.00 44.05 C ATOM 215 CG LYS A 14 -8.628 -4.196 -2.650 1.00 23.54 C ATOM 216 CD LYS A 14 -8.246 -5.510 -3.386 1.00 12.20 C ATOM 217 CE LYS A 14 -8.805 -5.580 -4.816 1.00 1.41 C ATOM 218 NZ LYS A 14 -10.286 -5.707 -4.813 1.00 44.10 N ATOM 0 H LYS A 14 -8.981 -4.378 1.343 1.00 74.20 H new ATOM 0 HA LYS A 14 -8.020 -2.385 -0.392 1.00 61.23 H new ATOM 0 HB2 LYS A 14 -7.631 -4.741 -0.816 1.00 44.05 H new ATOM 0 HB3 LYS A 14 -9.347 -5.097 -0.825 1.00 44.05 H new ATOM 0 HG2 LYS A 14 -9.623 -3.883 -2.966 1.00 23.54 H new ATOM 0 HG3 LYS A 14 -7.937 -3.405 -2.943 1.00 23.54 H new ATOM 0 HD2 LYS A 14 -7.160 -5.598 -3.421 1.00 12.20 H new ATOM 0 HD3 LYS A 14 -8.616 -6.361 -2.815 1.00 12.20 H new ATOM 0 HE2 LYS A 14 -8.516 -4.684 -5.366 1.00 1.41 H new ATOM 0 HE3 LYS A 14 -8.366 -6.430 -5.339 1.00 1.41 H new ATOM 0 HZ1 LYS A 14 -10.555 -6.642 -5.181 1.00 44.10 H new ATOM 0 HZ2 LYS A 14 -10.641 -5.602 -3.841 1.00 44.10 H new ATOM 0 HZ3 LYS A 14 -10.699 -4.966 -5.414 1.00 44.10 H new ATOM 232 N GLU A 15 -11.274 -2.938 -0.738 1.00 62.12 N ATOM 233 CA GLU A 15 -12.556 -2.364 -1.156 1.00 53.22 C ATOM 234 C GLU A 15 -12.779 -0.989 -0.494 1.00 43.14 C ATOM 235 O GLU A 15 -13.226 -0.068 -1.150 1.00 41.53 O ATOM 236 CB GLU A 15 -13.740 -3.322 -0.831 1.00 73.21 C ATOM 237 CG GLU A 15 -14.029 -3.527 0.672 1.00 43.33 C ATOM 238 CD GLU A 15 -15.256 -4.408 0.942 1.00 1.31 C ATOM 239 OE1 GLU A 15 -16.381 -3.867 1.026 1.00 22.11 O ATOM 240 OE2 GLU A 15 -15.112 -5.645 1.056 1.00 65.15 O ATOM 0 H GLU A 15 -11.357 -3.874 -0.342 1.00 62.12 H new ATOM 0 HA GLU A 15 -12.521 -2.229 -2.237 1.00 53.22 H new ATOM 0 HB2 GLU A 15 -14.640 -2.935 -1.308 1.00 73.21 H new ATOM 0 HB3 GLU A 15 -13.534 -4.293 -1.280 1.00 73.21 H new ATOM 0 HG2 GLU A 15 -13.156 -3.978 1.144 1.00 43.33 H new ATOM 0 HG3 GLU A 15 -14.179 -2.555 1.142 1.00 43.33 H new ATOM 247 N GLU A 16 -12.388 -0.878 0.791 1.00 20.03 N ATOM 248 CA GLU A 16 -12.668 0.294 1.629 1.00 3.14 C ATOM 249 C GLU A 16 -11.908 1.543 1.149 1.00 31.32 C ATOM 250 O GLU A 16 -12.504 2.622 0.992 1.00 4.33 O ATOM 251 CB GLU A 16 -12.299 -0.021 3.102 1.00 51.11 C ATOM 252 CG GLU A 16 -12.698 1.072 4.121 1.00 54.35 C ATOM 253 CD GLU A 16 -14.222 1.258 4.257 1.00 1.35 C ATOM 254 OE1 GLU A 16 -14.836 1.929 3.405 1.00 53.23 O ATOM 255 OE2 GLU A 16 -14.819 0.740 5.219 1.00 75.21 O ATOM 0 H GLU A 16 -11.865 -1.607 1.276 1.00 20.03 H new ATOM 0 HA GLU A 16 -13.733 0.513 1.552 1.00 3.14 H new ATOM 0 HB2 GLU A 16 -12.778 -0.957 3.389 1.00 51.11 H new ATOM 0 HB3 GLU A 16 -11.223 -0.181 3.165 1.00 51.11 H new ATOM 0 HG2 GLU A 16 -12.282 0.818 5.096 1.00 54.35 H new ATOM 0 HG3 GLU A 16 -12.250 2.019 3.820 1.00 54.35 H new ATOM 262 N VAL A 17 -10.587 1.382 0.943 1.00 44.01 N ATOM 263 CA VAL A 17 -9.707 2.484 0.514 1.00 1.41 C ATOM 264 C VAL A 17 -10.101 2.982 -0.895 1.00 75.32 C ATOM 265 O VAL A 17 -10.068 4.181 -1.151 1.00 71.32 O ATOM 266 CB VAL A 17 -8.179 2.080 0.538 1.00 25.24 C ATOM 267 CG1 VAL A 17 -7.275 3.306 0.256 1.00 20.04 C ATOM 268 CG2 VAL A 17 -7.774 1.405 1.871 1.00 23.44 C ATOM 0 H VAL A 17 -10.104 0.492 1.068 1.00 44.01 H new ATOM 0 HA VAL A 17 -9.843 3.292 1.233 1.00 1.41 H new ATOM 0 HB VAL A 17 -8.034 1.348 -0.257 1.00 25.24 H new ATOM 0 HG11 VAL A 17 -6.229 3.000 0.278 1.00 20.04 H new ATOM 0 HG12 VAL A 17 -7.512 3.715 -0.726 1.00 20.04 H new ATOM 0 HG13 VAL A 17 -7.447 4.067 1.017 1.00 20.04 H new ATOM 0 HG21 VAL A 17 -6.716 1.145 1.841 1.00 23.44 H new ATOM 0 HG22 VAL A 17 -7.955 2.093 2.697 1.00 23.44 H new ATOM 0 HG23 VAL A 17 -8.365 0.501 2.015 1.00 23.44 H new ATOM 278 N ARG A 18 -10.477 2.055 -1.804 1.00 33.15 N ATOM 279 CA ARG A 18 -10.931 2.429 -3.174 1.00 12.20 C ATOM 280 C ARG A 18 -12.375 2.979 -3.182 1.00 34.10 C ATOM 281 O ARG A 18 -12.750 3.730 -4.098 1.00 23.55 O ATOM 282 CB ARG A 18 -10.804 1.226 -4.135 1.00 32.23 C ATOM 283 CG ARG A 18 -9.381 0.662 -4.228 1.00 75.11 C ATOM 284 CD ARG A 18 -9.224 -0.436 -5.286 1.00 14.42 C ATOM 285 NE ARG A 18 -9.448 0.055 -6.660 1.00 51.03 N ATOM 286 CZ ARG A 18 -8.571 0.794 -7.373 1.00 10.20 C ATOM 287 NH1 ARG A 18 -7.397 1.134 -6.865 1.00 42.25 N ATOM 288 NH2 ARG A 18 -8.878 1.187 -8.596 1.00 75.30 N ATOM 0 H ARG A 18 -10.478 1.051 -1.623 1.00 33.15 H new ATOM 0 HA ARG A 18 -10.279 3.231 -3.521 1.00 12.20 H new ATOM 0 HB2 ARG A 18 -11.478 0.436 -3.805 1.00 32.23 H new ATOM 0 HB3 ARG A 18 -11.131 1.530 -5.129 1.00 32.23 H new ATOM 0 HG2 ARG A 18 -8.691 1.475 -4.455 1.00 75.11 H new ATOM 0 HG3 ARG A 18 -9.093 0.262 -3.256 1.00 75.11 H new ATOM 0 HD2 ARG A 18 -8.223 -0.861 -5.216 1.00 14.42 H new ATOM 0 HD3 ARG A 18 -9.927 -1.241 -5.074 1.00 14.42 H new ATOM 0 HE ARG A 18 -10.334 -0.182 -7.106 1.00 51.03 H new ATOM 0 HH11 ARG A 18 -7.144 0.837 -5.922 1.00 42.25 H new ATOM 0 HH12 ARG A 18 -6.745 1.693 -7.416 1.00 42.25 H new ATOM 0 HH21 ARG A 18 -9.778 0.932 -9.003 1.00 75.30 H new ATOM 0 HH22 ARG A 18 -8.215 1.745 -9.134 1.00 75.30 H new ATOM 302 N LYS A 19 -13.168 2.603 -2.164 1.00 34.10 N ATOM 303 CA LYS A 19 -14.586 3.028 -2.013 1.00 63.13 C ATOM 304 C LYS A 19 -14.639 4.514 -1.630 1.00 51.42 C ATOM 305 O LYS A 19 -15.503 5.266 -2.092 1.00 13.54 O ATOM 306 CB LYS A 19 -15.265 2.148 -0.934 1.00 13.44 C ATOM 307 CG LYS A 19 -16.805 2.244 -0.835 1.00 21.23 C ATOM 308 CD LYS A 19 -17.387 1.217 0.177 1.00 31.52 C ATOM 309 CE LYS A 19 -17.034 -0.251 -0.163 1.00 4.12 C ATOM 310 NZ LYS A 19 -17.565 -1.209 0.845 1.00 61.52 N ATOM 0 H LYS A 19 -12.848 1.991 -1.413 1.00 34.10 H new ATOM 0 HA LYS A 19 -15.121 2.901 -2.954 1.00 63.13 H new ATOM 0 HB2 LYS A 19 -14.999 1.108 -1.125 1.00 13.44 H new ATOM 0 HB3 LYS A 19 -14.844 2.412 0.036 1.00 13.44 H new ATOM 0 HG2 LYS A 19 -17.087 3.252 -0.531 1.00 21.23 H new ATOM 0 HG3 LYS A 19 -17.243 2.073 -1.818 1.00 21.23 H new ATOM 0 HD2 LYS A 19 -17.015 1.450 1.174 1.00 31.52 H new ATOM 0 HD3 LYS A 19 -18.471 1.324 0.208 1.00 31.52 H new ATOM 0 HE2 LYS A 19 -17.436 -0.501 -1.145 1.00 4.12 H new ATOM 0 HE3 LYS A 19 -15.951 -0.357 -0.226 1.00 4.12 H new ATOM 0 HZ1 LYS A 19 -17.042 -2.106 0.781 1.00 61.52 H new ATOM 0 HZ2 LYS A 19 -17.450 -0.809 1.798 1.00 61.52 H new ATOM 0 HZ3 LYS A 19 -18.574 -1.382 0.661 1.00 61.52 H new ATOM 324 N LYS A 20 -13.692 4.910 -0.774 1.00 4.24 N ATOM 325 CA LYS A 20 -13.501 6.303 -0.361 1.00 32.11 C ATOM 326 C LYS A 20 -12.711 7.083 -1.426 1.00 42.14 C ATOM 327 O LYS A 20 -13.108 8.183 -1.831 1.00 73.25 O ATOM 328 CB LYS A 20 -12.757 6.347 0.996 1.00 32.42 C ATOM 329 CG LYS A 20 -13.582 5.857 2.202 1.00 11.03 C ATOM 330 CD LYS A 20 -12.744 5.736 3.496 1.00 70.23 C ATOM 331 CE LYS A 20 -13.617 5.576 4.754 1.00 63.20 C ATOM 332 NZ LYS A 20 -14.590 4.463 4.631 1.00 61.21 N ATOM 0 H LYS A 20 -13.029 4.265 -0.344 1.00 4.24 H new ATOM 0 HA LYS A 20 -14.478 6.773 -0.251 1.00 32.11 H new ATOM 0 HB2 LYS A 20 -11.855 5.739 0.920 1.00 32.42 H new ATOM 0 HB3 LYS A 20 -12.436 7.371 1.185 1.00 32.42 H new ATOM 0 HG2 LYS A 20 -14.409 6.546 2.374 1.00 11.03 H new ATOM 0 HG3 LYS A 20 -14.019 4.887 1.966 1.00 11.03 H new ATOM 0 HD2 LYS A 20 -12.074 4.880 3.412 1.00 70.23 H new ATOM 0 HD3 LYS A 20 -12.118 6.622 3.603 1.00 70.23 H new ATOM 0 HE2 LYS A 20 -12.976 5.400 5.618 1.00 63.20 H new ATOM 0 HE3 LYS A 20 -14.155 6.506 4.940 1.00 63.20 H new ATOM 0 HZ1 LYS A 20 -14.651 3.954 5.536 1.00 61.21 H new ATOM 0 HZ2 LYS A 20 -15.525 4.845 4.385 1.00 61.21 H new ATOM 0 HZ3 LYS A 20 -14.277 3.809 3.886 1.00 61.21 H new ATOM 346 N PHE A 21 -11.601 6.474 -1.903 1.00 70.10 N ATOM 347 CA PHE A 21 -10.595 7.152 -2.748 1.00 12.25 C ATOM 348 C PHE A 21 -10.359 6.319 -4.039 1.00 64.21 C ATOM 349 O PHE A 21 -9.531 5.400 -4.036 1.00 55.34 O ATOM 350 CB PHE A 21 -9.241 7.345 -1.972 1.00 41.31 C ATOM 351 CG PHE A 21 -9.374 7.699 -0.482 1.00 31.32 C ATOM 352 CD1 PHE A 21 -9.749 8.982 -0.069 1.00 45.24 C ATOM 353 CD2 PHE A 21 -9.117 6.742 0.509 1.00 60.31 C ATOM 354 CE1 PHE A 21 -9.857 9.288 1.281 1.00 44.35 C ATOM 355 CE2 PHE A 21 -9.230 7.053 1.850 1.00 44.02 C ATOM 356 CZ PHE A 21 -9.599 8.321 2.237 1.00 72.23 C ATOM 0 H PHE A 21 -11.379 5.497 -1.712 1.00 70.10 H new ATOM 0 HA PHE A 21 -10.972 8.140 -3.014 1.00 12.25 H new ATOM 0 HB2 PHE A 21 -8.659 6.427 -2.058 1.00 41.31 H new ATOM 0 HB3 PHE A 21 -8.670 8.132 -2.464 1.00 41.31 H new ATOM 0 HD1 PHE A 21 -9.957 9.742 -0.808 1.00 45.24 H new ATOM 0 HD2 PHE A 21 -8.825 5.743 0.219 1.00 60.31 H new ATOM 0 HE1 PHE A 21 -10.143 10.284 1.586 1.00 44.35 H new ATOM 0 HE2 PHE A 21 -9.028 6.299 2.597 1.00 44.02 H new ATOM 0 HZ PHE A 21 -9.687 8.561 3.286 1.00 72.23 H new ATOM 366 N PRO A 22 -11.112 6.599 -5.151 1.00 0.35 N ATOM 367 CA PRO A 22 -10.899 5.917 -6.465 1.00 70.52 C ATOM 368 C PRO A 22 -9.579 6.337 -7.164 1.00 12.04 C ATOM 369 O PRO A 22 -9.203 5.760 -8.193 1.00 2.21 O ATOM 370 CB PRO A 22 -12.142 6.358 -7.288 1.00 14.31 C ATOM 371 CG PRO A 22 -12.550 7.676 -6.691 1.00 64.13 C ATOM 372 CD PRO A 22 -12.258 7.559 -5.209 1.00 53.22 C ATOM 0 HA PRO A 22 -10.801 4.837 -6.357 1.00 70.52 H new ATOM 0 HB2 PRO A 22 -11.900 6.461 -8.346 1.00 14.31 H new ATOM 0 HB3 PRO A 22 -12.945 5.625 -7.215 1.00 14.31 H new ATOM 0 HG2 PRO A 22 -11.991 8.498 -7.137 1.00 64.13 H new ATOM 0 HG3 PRO A 22 -13.607 7.876 -6.868 1.00 64.13 H new ATOM 0 HD2 PRO A 22 -11.995 8.524 -4.775 1.00 53.22 H new ATOM 0 HD3 PRO A 22 -13.122 7.186 -4.658 1.00 53.22 H new ATOM 380 N GLN A 23 -8.888 7.338 -6.584 1.00 2.22 N ATOM 381 CA GLN A 23 -7.660 7.932 -7.149 1.00 35.22 C ATOM 382 C GLN A 23 -6.410 7.085 -6.847 1.00 13.11 C ATOM 383 O GLN A 23 -5.434 7.121 -7.605 1.00 70.10 O ATOM 384 CB GLN A 23 -7.473 9.372 -6.603 1.00 11.01 C ATOM 385 CG GLN A 23 -7.209 9.470 -5.081 1.00 43.41 C ATOM 386 CD GLN A 23 -7.121 10.908 -4.571 1.00 64.51 C ATOM 387 OE1 GLN A 23 -6.737 11.815 -5.302 1.00 61.23 O ATOM 388 NE2 GLN A 23 -7.474 11.124 -3.309 1.00 55.31 N ATOM 0 H GLN A 23 -9.170 7.762 -5.700 1.00 2.22 H new ATOM 0 HA GLN A 23 -7.777 7.960 -8.232 1.00 35.22 H new ATOM 0 HB2 GLN A 23 -6.641 9.838 -7.131 1.00 11.01 H new ATOM 0 HB3 GLN A 23 -8.365 9.952 -6.839 1.00 11.01 H new ATOM 0 HG2 GLN A 23 -8.006 8.951 -4.548 1.00 43.41 H new ATOM 0 HG3 GLN A 23 -6.279 8.952 -4.847 1.00 43.41 H new ATOM 0 HE21 GLN A 23 -7.789 10.347 -2.728 1.00 55.31 H new ATOM 0 HE22 GLN A 23 -7.430 12.066 -2.921 1.00 55.31 H new ATOM 397 N VAL A 24 -6.443 6.341 -5.728 1.00 21.23 N ATOM 398 CA VAL A 24 -5.292 5.546 -5.256 1.00 5.12 C ATOM 399 C VAL A 24 -5.418 4.083 -5.731 1.00 61.54 C ATOM 400 O VAL A 24 -6.527 3.545 -5.811 1.00 63.53 O ATOM 401 CB VAL A 24 -5.145 5.614 -3.685 1.00 21.24 C ATOM 402 CG1 VAL A 24 -4.927 7.069 -3.209 1.00 14.24 C ATOM 403 CG2 VAL A 24 -6.351 4.977 -2.959 1.00 13.13 C ATOM 0 H VAL A 24 -7.264 6.273 -5.126 1.00 21.23 H new ATOM 0 HA VAL A 24 -4.389 5.977 -5.688 1.00 5.12 H new ATOM 0 HB VAL A 24 -4.263 5.029 -3.424 1.00 21.24 H new ATOM 0 HG11 VAL A 24 -4.829 7.086 -2.124 1.00 14.24 H new ATOM 0 HG12 VAL A 24 -4.019 7.468 -3.662 1.00 14.24 H new ATOM 0 HG13 VAL A 24 -5.779 7.680 -3.506 1.00 14.24 H new ATOM 0 HG21 VAL A 24 -6.205 5.047 -1.881 1.00 13.13 H new ATOM 0 HG22 VAL A 24 -7.263 5.505 -3.237 1.00 13.13 H new ATOM 0 HG23 VAL A 24 -6.436 3.929 -3.246 1.00 13.13 H new ATOM 413 N GLU A 25 -4.273 3.455 -6.062 1.00 12.31 N ATOM 414 CA GLU A 25 -4.226 2.054 -6.518 1.00 1.33 C ATOM 415 C GLU A 25 -3.906 1.133 -5.339 1.00 40.22 C ATOM 416 O GLU A 25 -2.838 1.222 -4.742 1.00 65.30 O ATOM 417 CB GLU A 25 -3.225 1.890 -7.686 1.00 52.45 C ATOM 418 CG GLU A 25 -3.712 2.523 -9.010 1.00 43.44 C ATOM 419 CD GLU A 25 -5.029 1.900 -9.535 1.00 12.34 C ATOM 420 OE1 GLU A 25 -4.978 0.858 -10.218 1.00 24.21 O ATOM 421 OE2 GLU A 25 -6.125 2.430 -9.252 1.00 11.02 O ATOM 0 H GLU A 25 -3.358 3.904 -6.021 1.00 12.31 H new ATOM 0 HA GLU A 25 -5.204 1.766 -6.904 1.00 1.33 H new ATOM 0 HB2 GLU A 25 -2.274 2.342 -7.405 1.00 52.45 H new ATOM 0 HB3 GLU A 25 -3.038 0.828 -7.847 1.00 52.45 H new ATOM 0 HG2 GLU A 25 -3.857 3.593 -8.862 1.00 43.44 H new ATOM 0 HG3 GLU A 25 -2.936 2.409 -9.767 1.00 43.44 H new ATOM 428 N VAL A 26 -4.858 0.250 -5.004 1.00 14.11 N ATOM 429 CA VAL A 26 -4.808 -0.592 -3.795 1.00 33.23 C ATOM 430 C VAL A 26 -4.685 -2.059 -4.209 1.00 1.55 C ATOM 431 O VAL A 26 -5.385 -2.500 -5.125 1.00 34.05 O ATOM 432 CB VAL A 26 -6.087 -0.364 -2.911 1.00 51.32 C ATOM 433 CG1 VAL A 26 -6.053 -1.198 -1.610 1.00 72.33 C ATOM 434 CG2 VAL A 26 -6.269 1.138 -2.599 1.00 34.11 C ATOM 0 H VAL A 26 -5.693 0.097 -5.569 1.00 14.11 H new ATOM 0 HA VAL A 26 -3.939 -0.317 -3.197 1.00 33.23 H new ATOM 0 HB VAL A 26 -6.946 -0.708 -3.487 1.00 51.32 H new ATOM 0 HG11 VAL A 26 -6.957 -1.007 -1.032 1.00 72.33 H new ATOM 0 HG12 VAL A 26 -5.998 -2.258 -1.859 1.00 72.33 H new ATOM 0 HG13 VAL A 26 -5.180 -0.918 -1.021 1.00 72.33 H new ATOM 0 HG21 VAL A 26 -7.160 1.277 -1.986 1.00 34.11 H new ATOM 0 HG22 VAL A 26 -5.396 1.506 -2.060 1.00 34.11 H new ATOM 0 HG23 VAL A 26 -6.380 1.692 -3.531 1.00 34.11 H new ATOM 444 N ARG A 27 -3.782 -2.805 -3.551 1.00 63.42 N ATOM 445 CA ARG A 27 -3.435 -4.182 -3.940 1.00 61.02 C ATOM 446 C ARG A 27 -3.646 -5.149 -2.773 1.00 21.40 C ATOM 447 O ARG A 27 -3.218 -4.873 -1.651 1.00 21.02 O ATOM 448 CB ARG A 27 -1.963 -4.237 -4.430 1.00 35.40 C ATOM 449 CG ARG A 27 -1.650 -3.321 -5.639 1.00 12.12 C ATOM 450 CD ARG A 27 -2.540 -3.631 -6.858 1.00 21.20 C ATOM 451 NE ARG A 27 -2.357 -2.653 -7.941 1.00 11.12 N ATOM 452 CZ ARG A 27 -3.343 -1.952 -8.535 1.00 14.02 C ATOM 453 NH1 ARG A 27 -4.617 -2.081 -8.164 1.00 21.20 N ATOM 454 NH2 ARG A 27 -3.027 -1.115 -9.496 1.00 11.20 N ATOM 0 H ARG A 27 -3.272 -2.470 -2.734 1.00 63.42 H new ATOM 0 HA ARG A 27 -4.092 -4.488 -4.754 1.00 61.02 H new ATOM 0 HB2 ARG A 27 -1.308 -3.961 -3.603 1.00 35.40 H new ATOM 0 HB3 ARG A 27 -1.722 -5.266 -4.698 1.00 35.40 H new ATOM 0 HG2 ARG A 27 -1.788 -2.280 -5.348 1.00 12.12 H new ATOM 0 HG3 ARG A 27 -0.603 -3.438 -5.918 1.00 12.12 H new ATOM 0 HD2 ARG A 27 -2.310 -4.630 -7.229 1.00 21.20 H new ATOM 0 HD3 ARG A 27 -3.586 -3.639 -6.550 1.00 21.20 H new ATOM 0 HE ARG A 27 -1.405 -2.492 -8.270 1.00 11.12 H new ATOM 0 HH11 ARG A 27 -4.867 -2.723 -7.412 1.00 21.20 H new ATOM 0 HH12 ARG A 27 -5.342 -1.537 -8.632 1.00 21.20 H new ATOM 0 HH21 ARG A 27 -2.053 -1.007 -9.778 1.00 11.20 H new ATOM 0 HH22 ARG A 27 -3.756 -0.573 -9.961 1.00 11.20 H new ATOM 468 N LEU A 28 -4.313 -6.277 -3.056 1.00 62.24 N ATOM 469 CA LEU A 28 -4.548 -7.357 -2.091 1.00 71.54 C ATOM 470 C LEU A 28 -3.387 -8.356 -2.174 1.00 61.12 C ATOM 471 O LEU A 28 -3.150 -8.958 -3.229 1.00 31.51 O ATOM 472 CB LEU A 28 -5.898 -8.062 -2.396 1.00 3.31 C ATOM 473 CG LEU A 28 -6.290 -9.270 -1.489 1.00 10.13 C ATOM 474 CD1 LEU A 28 -6.271 -8.882 -0.002 1.00 41.31 C ATOM 475 CD2 LEU A 28 -7.663 -9.858 -1.897 1.00 50.31 C ATOM 0 H LEU A 28 -4.710 -6.466 -3.976 1.00 62.24 H new ATOM 0 HA LEU A 28 -4.601 -6.947 -1.082 1.00 71.54 H new ATOM 0 HB2 LEU A 28 -6.691 -7.317 -2.329 1.00 3.31 H new ATOM 0 HB3 LEU A 28 -5.873 -8.409 -3.429 1.00 3.31 H new ATOM 0 HG LEU A 28 -5.541 -10.048 -1.637 1.00 10.13 H new ATOM 0 HD11 LEU A 28 -6.549 -9.745 0.603 1.00 41.31 H new ATOM 0 HD12 LEU A 28 -5.270 -8.552 0.275 1.00 41.31 H new ATOM 0 HD13 LEU A 28 -6.981 -8.074 0.172 1.00 41.31 H new ATOM 0 HD21 LEU A 28 -7.907 -10.698 -1.246 1.00 50.31 H new ATOM 0 HD22 LEU A 28 -8.431 -9.090 -1.802 1.00 50.31 H new ATOM 0 HD23 LEU A 28 -7.619 -10.201 -2.931 1.00 50.31 H new ATOM 487 N VAL A 29 -2.648 -8.499 -1.068 1.00 22.14 N ATOM 488 CA VAL A 29 -1.537 -9.448 -0.950 1.00 71.13 C ATOM 489 C VAL A 29 -1.991 -10.633 -0.084 1.00 64.22 C ATOM 490 O VAL A 29 -2.150 -10.504 1.135 1.00 70.24 O ATOM 491 CB VAL A 29 -0.244 -8.756 -0.363 1.00 74.22 C ATOM 492 CG1 VAL A 29 0.898 -9.772 -0.093 1.00 14.32 C ATOM 493 CG2 VAL A 29 0.238 -7.629 -1.309 1.00 53.54 C ATOM 0 H VAL A 29 -2.807 -7.953 -0.221 1.00 22.14 H new ATOM 0 HA VAL A 29 -1.265 -9.812 -1.941 1.00 71.13 H new ATOM 0 HB VAL A 29 -0.516 -8.322 0.599 1.00 74.22 H new ATOM 0 HG11 VAL A 29 1.764 -9.247 0.310 1.00 14.32 H new ATOM 0 HG12 VAL A 29 0.559 -10.518 0.626 1.00 14.32 H new ATOM 0 HG13 VAL A 29 1.174 -10.266 -1.025 1.00 14.32 H new ATOM 0 HG21 VAL A 29 1.130 -7.161 -0.892 1.00 53.54 H new ATOM 0 HG22 VAL A 29 0.473 -8.050 -2.287 1.00 53.54 H new ATOM 0 HG23 VAL A 29 -0.548 -6.882 -1.415 1.00 53.54 H new ATOM 503 N THR A 30 -2.248 -11.765 -0.748 1.00 44.52 N ATOM 504 CA THR A 30 -2.649 -13.025 -0.097 1.00 24.15 C ATOM 505 C THR A 30 -1.435 -13.977 -0.039 1.00 62.30 C ATOM 506 O THR A 30 -1.296 -14.787 0.889 1.00 31.52 O ATOM 507 CB THR A 30 -3.825 -13.704 -0.883 1.00 42.54 C ATOM 508 OG1 THR A 30 -3.438 -13.914 -2.253 1.00 72.04 O ATOM 509 CG2 THR A 30 -5.113 -12.860 -0.843 1.00 11.34 C ATOM 0 H THR A 30 -2.184 -11.837 -1.763 1.00 44.52 H new ATOM 0 HA THR A 30 -2.994 -12.808 0.914 1.00 24.15 H new ATOM 0 HB THR A 30 -4.033 -14.657 -0.397 1.00 42.54 H new ATOM 0 HG1 THR A 30 -4.175 -14.340 -2.739 1.00 72.04 H new ATOM 0 HG21 THR A 30 -5.899 -13.369 -1.400 1.00 11.34 H new ATOM 0 HG22 THR A 30 -5.429 -12.727 0.192 1.00 11.34 H new ATOM 0 HG23 THR A 30 -4.923 -11.885 -1.292 1.00 11.34 H new ATOM 517 N THR A 31 -0.563 -13.852 -1.055 1.00 35.21 N ATOM 518 CA THR A 31 0.696 -14.602 -1.176 1.00 44.05 C ATOM 519 C THR A 31 1.857 -13.616 -1.420 1.00 72.44 C ATOM 520 O THR A 31 1.627 -12.447 -1.759 1.00 4.54 O ATOM 521 CB THR A 31 0.628 -15.645 -2.349 1.00 72.14 C ATOM 522 OG1 THR A 31 0.416 -14.975 -3.599 1.00 4.12 O ATOM 523 CG2 THR A 31 -0.487 -16.688 -2.140 1.00 50.12 C ATOM 0 H THR A 31 -0.720 -13.211 -1.833 1.00 35.21 H new ATOM 0 HA THR A 31 0.862 -15.150 -0.248 1.00 44.05 H new ATOM 0 HB THR A 31 1.584 -16.169 -2.361 1.00 72.14 H new ATOM 0 HG1 THR A 31 -0.222 -14.242 -3.473 1.00 4.12 H new ATOM 0 HG21 THR A 31 -0.494 -17.386 -2.977 1.00 50.12 H new ATOM 0 HG22 THR A 31 -0.306 -17.233 -1.214 1.00 50.12 H new ATOM 0 HG23 THR A 31 -1.451 -16.183 -2.081 1.00 50.12 H new ATOM 531 N GLU A 32 3.098 -14.105 -1.253 1.00 43.22 N ATOM 532 CA GLU A 32 4.328 -13.322 -1.498 1.00 34.10 C ATOM 533 C GLU A 32 4.428 -12.903 -2.982 1.00 23.11 C ATOM 534 O GLU A 32 4.985 -11.850 -3.294 1.00 14.04 O ATOM 535 CB GLU A 32 5.566 -14.156 -1.092 1.00 43.02 C ATOM 536 CG GLU A 32 6.917 -13.427 -1.231 1.00 31.22 C ATOM 537 CD GLU A 32 8.116 -14.366 -1.039 1.00 11.02 C ATOM 538 OE1 GLU A 32 8.551 -14.576 0.106 1.00 70.31 O ATOM 539 OE2 GLU A 32 8.617 -14.917 -2.042 1.00 75.21 O ATOM 0 H GLU A 32 3.280 -15.059 -0.943 1.00 43.22 H new ATOM 0 HA GLU A 32 4.290 -12.416 -0.893 1.00 34.10 H new ATOM 0 HB2 GLU A 32 5.447 -14.474 -0.056 1.00 43.02 H new ATOM 0 HB3 GLU A 32 5.593 -15.059 -1.702 1.00 43.02 H new ATOM 0 HG2 GLU A 32 6.976 -12.964 -2.216 1.00 31.22 H new ATOM 0 HG3 GLU A 32 6.969 -12.623 -0.497 1.00 31.22 H new ATOM 546 N GLU A 33 3.877 -13.750 -3.878 1.00 51.25 N ATOM 547 CA GLU A 33 3.833 -13.490 -5.326 1.00 52.13 C ATOM 548 C GLU A 33 3.104 -12.164 -5.642 1.00 54.23 C ATOM 549 O GLU A 33 3.549 -11.407 -6.508 1.00 74.25 O ATOM 550 CB GLU A 33 3.159 -14.673 -6.067 1.00 52.10 C ATOM 551 CG GLU A 33 3.910 -16.017 -5.968 1.00 72.21 C ATOM 552 CD GLU A 33 5.357 -15.955 -6.508 1.00 71.23 C ATOM 553 OE1 GLU A 33 5.540 -15.859 -7.744 1.00 4.05 O ATOM 554 OE2 GLU A 33 6.316 -15.985 -5.716 1.00 3.55 O ATOM 0 H GLU A 33 3.449 -14.637 -3.612 1.00 51.25 H new ATOM 0 HA GLU A 33 4.860 -13.394 -5.679 1.00 52.13 H new ATOM 0 HB2 GLU A 33 2.153 -14.806 -5.669 1.00 52.10 H new ATOM 0 HB3 GLU A 33 3.053 -14.410 -7.119 1.00 52.10 H new ATOM 0 HG2 GLU A 33 3.933 -16.336 -4.926 1.00 72.21 H new ATOM 0 HG3 GLU A 33 3.356 -16.775 -6.521 1.00 72.21 H new ATOM 561 N ASP A 34 1.987 -11.900 -4.918 1.00 73.11 N ATOM 562 CA ASP A 34 1.239 -10.623 -5.018 1.00 51.23 C ATOM 563 C ASP A 34 2.159 -9.440 -4.702 1.00 45.30 C ATOM 564 O ASP A 34 2.218 -8.481 -5.467 1.00 75.24 O ATOM 565 CB ASP A 34 0.025 -10.579 -4.049 1.00 2.12 C ATOM 566 CG ASP A 34 -1.108 -11.544 -4.417 1.00 13.14 C ATOM 567 OD1 ASP A 34 -1.839 -11.267 -5.386 1.00 41.01 O ATOM 568 OD2 ASP A 34 -1.288 -12.570 -3.734 1.00 71.05 O ATOM 0 H ASP A 34 1.583 -12.561 -4.254 1.00 73.11 H new ATOM 0 HA ASP A 34 0.870 -10.554 -6.041 1.00 51.23 H new ATOM 0 HB2 ASP A 34 0.370 -10.809 -3.041 1.00 2.12 H new ATOM 0 HB3 ASP A 34 -0.371 -9.564 -4.026 1.00 2.12 H new ATOM 573 N ALA A 35 2.894 -9.558 -3.571 1.00 64.30 N ATOM 574 CA ALA A 35 3.810 -8.513 -3.074 1.00 15.21 C ATOM 575 C ALA A 35 4.880 -8.158 -4.130 1.00 61.14 C ATOM 576 O ALA A 35 5.161 -6.982 -4.350 1.00 72.03 O ATOM 577 CB ALA A 35 4.469 -8.956 -1.752 1.00 12.40 C ATOM 0 H ALA A 35 2.865 -10.387 -2.977 1.00 64.30 H new ATOM 0 HA ALA A 35 3.224 -7.614 -2.882 1.00 15.21 H new ATOM 0 HB1 ALA A 35 5.141 -8.173 -1.400 1.00 12.40 H new ATOM 0 HB2 ALA A 35 3.698 -9.135 -1.003 1.00 12.40 H new ATOM 0 HB3 ALA A 35 5.035 -9.873 -1.917 1.00 12.40 H new ATOM 583 N LYS A 36 5.432 -9.201 -4.785 1.00 23.11 N ATOM 584 CA LYS A 36 6.433 -9.069 -5.870 1.00 1.20 C ATOM 585 C LYS A 36 5.869 -8.265 -7.066 1.00 73.35 C ATOM 586 O LYS A 36 6.566 -7.413 -7.631 1.00 72.10 O ATOM 587 CB LYS A 36 6.881 -10.486 -6.325 1.00 52.33 C ATOM 588 CG LYS A 36 7.588 -11.310 -5.218 1.00 32.44 C ATOM 589 CD LYS A 36 7.665 -12.826 -5.538 1.00 52.14 C ATOM 590 CE LYS A 36 8.463 -13.153 -6.812 1.00 52.20 C ATOM 591 NZ LYS A 36 8.442 -14.613 -7.127 1.00 35.43 N ATOM 0 H LYS A 36 5.194 -10.170 -4.575 1.00 23.11 H new ATOM 0 HA LYS A 36 7.293 -8.518 -5.488 1.00 1.20 H new ATOM 0 HB2 LYS A 36 6.008 -11.038 -6.672 1.00 52.33 H new ATOM 0 HB3 LYS A 36 7.555 -10.387 -7.176 1.00 52.33 H new ATOM 0 HG2 LYS A 36 8.597 -10.924 -5.076 1.00 32.44 H new ATOM 0 HG3 LYS A 36 7.058 -11.171 -4.276 1.00 32.44 H new ATOM 0 HD2 LYS A 36 8.120 -13.343 -4.693 1.00 52.14 H new ATOM 0 HD3 LYS A 36 6.653 -13.217 -5.644 1.00 52.14 H new ATOM 0 HE2 LYS A 36 8.049 -12.595 -7.652 1.00 52.20 H new ATOM 0 HE3 LYS A 36 9.495 -12.824 -6.688 1.00 52.20 H new ATOM 0 HZ1 LYS A 36 9.377 -15.024 -6.932 1.00 35.43 H new ATOM 0 HZ2 LYS A 36 7.727 -15.085 -6.538 1.00 35.43 H new ATOM 0 HZ3 LYS A 36 8.207 -14.748 -8.131 1.00 35.43 H new ATOM 605 N GLN A 37 4.601 -8.561 -7.434 1.00 2.41 N ATOM 606 CA GLN A 37 3.876 -7.845 -8.517 1.00 42.34 C ATOM 607 C GLN A 37 3.711 -6.347 -8.174 1.00 33.12 C ATOM 608 O GLN A 37 3.880 -5.482 -9.044 1.00 72.21 O ATOM 609 CB GLN A 37 2.482 -8.493 -8.772 1.00 23.24 C ATOM 610 CG GLN A 37 2.534 -9.994 -9.128 1.00 51.03 C ATOM 611 CD GLN A 37 1.156 -10.670 -9.217 1.00 51.01 C ATOM 612 OE1 GLN A 37 0.168 -10.055 -9.615 1.00 33.25 O ATOM 613 NE2 GLN A 37 1.074 -11.935 -8.825 1.00 61.04 N ATOM 0 H GLN A 37 4.051 -9.298 -6.993 1.00 2.41 H new ATOM 0 HA GLN A 37 4.470 -7.928 -9.427 1.00 42.34 H new ATOM 0 HB2 GLN A 37 1.866 -8.364 -7.882 1.00 23.24 H new ATOM 0 HB3 GLN A 37 1.988 -7.957 -9.582 1.00 23.24 H new ATOM 0 HG2 GLN A 37 3.046 -10.112 -10.083 1.00 51.03 H new ATOM 0 HG3 GLN A 37 3.133 -10.513 -8.379 1.00 51.03 H new ATOM 0 HE21 GLN A 37 1.908 -12.423 -8.499 1.00 61.04 H new ATOM 0 HE22 GLN A 37 0.177 -12.419 -8.850 1.00 61.04 H new ATOM 622 N VAL A 38 3.399 -6.064 -6.889 1.00 75.41 N ATOM 623 CA VAL A 38 3.193 -4.689 -6.395 1.00 24.53 C ATOM 624 C VAL A 38 4.500 -3.871 -6.492 1.00 10.43 C ATOM 625 O VAL A 38 4.484 -2.759 -7.014 1.00 52.45 O ATOM 626 CB VAL A 38 2.662 -4.664 -4.911 1.00 21.23 C ATOM 627 CG1 VAL A 38 2.375 -3.217 -4.456 1.00 61.33 C ATOM 628 CG2 VAL A 38 1.406 -5.547 -4.733 1.00 50.13 C ATOM 0 H VAL A 38 3.284 -6.780 -6.171 1.00 75.41 H new ATOM 0 HA VAL A 38 2.433 -4.236 -7.032 1.00 24.53 H new ATOM 0 HB VAL A 38 3.448 -5.080 -4.280 1.00 21.23 H new ATOM 0 HG11 VAL A 38 2.010 -3.224 -3.429 1.00 61.33 H new ATOM 0 HG12 VAL A 38 3.292 -2.630 -4.511 1.00 61.33 H new ATOM 0 HG13 VAL A 38 1.621 -2.774 -5.106 1.00 61.33 H new ATOM 0 HG21 VAL A 38 1.073 -5.501 -3.696 1.00 50.13 H new ATOM 0 HG22 VAL A 38 0.611 -5.185 -5.386 1.00 50.13 H new ATOM 0 HG23 VAL A 38 1.647 -6.578 -4.992 1.00 50.13 H new ATOM 638 N ILE A 39 5.617 -4.472 -6.012 1.00 30.03 N ATOM 639 CA ILE A 39 6.972 -3.856 -6.004 1.00 32.02 C ATOM 640 C ILE A 39 7.329 -3.311 -7.393 1.00 62.02 C ATOM 641 O ILE A 39 7.771 -2.162 -7.527 1.00 41.53 O ATOM 642 CB ILE A 39 8.068 -4.903 -5.554 1.00 71.25 C ATOM 643 CG1 ILE A 39 7.849 -5.327 -4.069 1.00 1.43 C ATOM 644 CG2 ILE A 39 9.512 -4.380 -5.776 1.00 5.30 C ATOM 645 CD1 ILE A 39 8.749 -6.450 -3.582 1.00 31.11 C ATOM 0 H ILE A 39 5.604 -5.411 -5.614 1.00 30.03 H new ATOM 0 HA ILE A 39 6.954 -3.033 -5.289 1.00 32.02 H new ATOM 0 HB ILE A 39 7.951 -5.782 -6.188 1.00 71.25 H new ATOM 0 HG12 ILE A 39 8.003 -4.456 -3.432 1.00 1.43 H new ATOM 0 HG13 ILE A 39 6.811 -5.634 -3.944 1.00 1.43 H new ATOM 0 HG21 ILE A 39 10.227 -5.136 -5.451 1.00 5.30 H new ATOM 0 HG22 ILE A 39 9.664 -4.168 -6.834 1.00 5.30 H new ATOM 0 HG23 ILE A 39 9.661 -3.468 -5.199 1.00 5.30 H new ATOM 0 HD11 ILE A 39 8.521 -6.673 -2.540 1.00 31.11 H new ATOM 0 HD12 ILE A 39 8.581 -7.340 -4.188 1.00 31.11 H new ATOM 0 HD13 ILE A 39 9.792 -6.144 -3.668 1.00 31.11 H new ATOM 657 N LYS A 40 7.103 -4.160 -8.409 1.00 45.34 N ATOM 658 CA LYS A 40 7.357 -3.824 -9.814 1.00 21.12 C ATOM 659 C LYS A 40 6.508 -2.611 -10.232 1.00 73.24 C ATOM 660 O LYS A 40 7.058 -1.626 -10.706 1.00 63.40 O ATOM 661 CB LYS A 40 7.072 -5.047 -10.727 1.00 65.43 C ATOM 662 CG LYS A 40 7.977 -6.259 -10.426 1.00 33.33 C ATOM 663 CD LYS A 40 7.604 -7.513 -11.244 1.00 11.24 C ATOM 664 CE LYS A 40 8.522 -8.693 -10.920 1.00 33.34 C ATOM 665 NZ LYS A 40 8.164 -9.925 -11.668 1.00 55.14 N ATOM 0 H LYS A 40 6.737 -5.103 -8.275 1.00 45.34 H new ATOM 0 HA LYS A 40 8.408 -3.560 -9.928 1.00 21.12 H new ATOM 0 HB2 LYS A 40 6.030 -5.343 -10.610 1.00 65.43 H new ATOM 0 HB3 LYS A 40 7.205 -4.753 -11.768 1.00 65.43 H new ATOM 0 HG2 LYS A 40 9.013 -5.992 -10.635 1.00 33.33 H new ATOM 0 HG3 LYS A 40 7.916 -6.495 -9.364 1.00 33.33 H new ATOM 0 HD2 LYS A 40 6.570 -7.789 -11.037 1.00 11.24 H new ATOM 0 HD3 LYS A 40 7.666 -7.285 -12.308 1.00 11.24 H new ATOM 0 HE2 LYS A 40 9.552 -8.420 -11.151 1.00 33.34 H new ATOM 0 HE3 LYS A 40 8.479 -8.898 -9.850 1.00 33.34 H new ATOM 0 HZ1 LYS A 40 8.818 -10.691 -11.409 1.00 55.14 H new ATOM 0 HZ2 LYS A 40 7.191 -10.206 -11.430 1.00 55.14 H new ATOM 0 HZ3 LYS A 40 8.231 -9.743 -12.690 1.00 55.14 H new ATOM 679 N GLU A 41 5.181 -2.684 -9.970 1.00 72.51 N ATOM 680 CA GLU A 41 4.203 -1.638 -10.368 1.00 61.14 C ATOM 681 C GLU A 41 4.586 -0.249 -9.803 1.00 33.11 C ATOM 682 O GLU A 41 4.541 0.751 -10.526 1.00 3.11 O ATOM 683 CB GLU A 41 2.776 -2.030 -9.906 1.00 64.11 C ATOM 684 CG GLU A 41 1.691 -1.009 -10.301 1.00 44.30 C ATOM 685 CD GLU A 41 0.295 -1.351 -9.773 1.00 32.54 C ATOM 686 OE1 GLU A 41 -0.420 -2.151 -10.417 1.00 13.12 O ATOM 687 OE2 GLU A 41 -0.113 -0.810 -8.720 1.00 34.51 O ATOM 0 H GLU A 41 4.756 -3.469 -9.477 1.00 72.51 H new ATOM 0 HA GLU A 41 4.220 -1.569 -11.456 1.00 61.14 H new ATOM 0 HB2 GLU A 41 2.520 -3.000 -10.331 1.00 64.11 H new ATOM 0 HB3 GLU A 41 2.774 -2.147 -8.822 1.00 64.11 H new ATOM 0 HG2 GLU A 41 1.979 -0.026 -9.929 1.00 44.30 H new ATOM 0 HG3 GLU A 41 1.650 -0.939 -11.388 1.00 44.30 H new ATOM 694 N ILE A 42 4.965 -0.230 -8.508 1.00 32.13 N ATOM 695 CA ILE A 42 5.420 0.984 -7.795 1.00 12.52 C ATOM 696 C ILE A 42 6.591 1.648 -8.557 1.00 11.20 C ATOM 697 O ILE A 42 6.631 2.867 -8.726 1.00 44.30 O ATOM 698 CB ILE A 42 5.859 0.644 -6.313 1.00 11.01 C ATOM 699 CG1 ILE A 42 4.681 0.009 -5.498 1.00 3.11 C ATOM 700 CG2 ILE A 42 6.399 1.902 -5.592 1.00 53.24 C ATOM 701 CD1 ILE A 42 5.072 -0.542 -4.128 1.00 55.51 C ATOM 0 H ILE A 42 4.964 -1.065 -7.922 1.00 32.13 H new ATOM 0 HA ILE A 42 4.584 1.681 -7.751 1.00 12.52 H new ATOM 0 HB ILE A 42 6.662 -0.091 -6.372 1.00 11.01 H new ATOM 0 HG12 ILE A 42 3.904 0.762 -5.363 1.00 3.11 H new ATOM 0 HG13 ILE A 42 4.244 -0.797 -6.087 1.00 3.11 H new ATOM 0 HG21 ILE A 42 6.694 1.641 -4.576 1.00 53.24 H new ATOM 0 HG22 ILE A 42 7.263 2.288 -6.132 1.00 53.24 H new ATOM 0 HG23 ILE A 42 5.621 2.665 -5.559 1.00 53.24 H new ATOM 0 HD11 ILE A 42 4.192 -0.960 -3.639 1.00 55.51 H new ATOM 0 HD12 ILE A 42 5.824 -1.321 -4.250 1.00 55.51 H new ATOM 0 HD13 ILE A 42 5.479 0.262 -3.515 1.00 55.51 H new ATOM 713 N GLN A 43 7.510 0.812 -9.050 1.00 53.42 N ATOM 714 CA GLN A 43 8.698 1.264 -9.793 1.00 33.24 C ATOM 715 C GLN A 43 8.341 1.703 -11.231 1.00 34.25 C ATOM 716 O GLN A 43 8.913 2.676 -11.733 1.00 63.11 O ATOM 717 CB GLN A 43 9.760 0.138 -9.802 1.00 53.54 C ATOM 718 CG GLN A 43 10.293 -0.230 -8.398 1.00 24.25 C ATOM 719 CD GLN A 43 11.266 -1.413 -8.399 1.00 3.00 C ATOM 720 OE1 GLN A 43 11.958 -1.667 -9.384 1.00 60.34 O ATOM 721 NE2 GLN A 43 11.348 -2.129 -7.286 1.00 75.20 N ATOM 0 H GLN A 43 7.454 -0.201 -8.946 1.00 53.42 H new ATOM 0 HA GLN A 43 9.108 2.139 -9.289 1.00 33.24 H new ATOM 0 HB2 GLN A 43 9.329 -0.752 -10.261 1.00 53.54 H new ATOM 0 HB3 GLN A 43 10.597 0.446 -10.429 1.00 53.54 H new ATOM 0 HG2 GLN A 43 10.792 0.639 -7.969 1.00 24.25 H new ATOM 0 HG3 GLN A 43 9.449 -0.465 -7.749 1.00 24.25 H new ATOM 0 HE21 GLN A 43 10.762 -1.895 -6.485 1.00 75.20 H new ATOM 0 HE22 GLN A 43 11.997 -2.914 -7.231 1.00 75.20 H new ATOM 730 N LYS A 44 7.378 1.000 -11.875 1.00 11.25 N ATOM 731 CA LYS A 44 7.014 1.249 -13.298 1.00 41.24 C ATOM 732 C LYS A 44 6.347 2.620 -13.475 1.00 44.34 C ATOM 733 O LYS A 44 6.705 3.376 -14.384 1.00 61.34 O ATOM 734 CB LYS A 44 6.078 0.139 -13.856 1.00 52.41 C ATOM 735 CG LYS A 44 6.628 -1.300 -13.759 1.00 71.03 C ATOM 736 CD LYS A 44 8.050 -1.479 -14.339 1.00 75.15 C ATOM 737 CE LYS A 44 8.576 -2.912 -14.156 1.00 11.11 C ATOM 738 NZ LYS A 44 9.952 -3.065 -14.696 1.00 14.53 N ATOM 0 H LYS A 44 6.837 0.255 -11.435 1.00 11.25 H new ATOM 0 HA LYS A 44 7.945 1.234 -13.864 1.00 41.24 H new ATOM 0 HB2 LYS A 44 5.129 0.184 -13.321 1.00 52.41 H new ATOM 0 HB3 LYS A 44 5.865 0.359 -14.902 1.00 52.41 H new ATOM 0 HG2 LYS A 44 6.634 -1.604 -12.712 1.00 71.03 H new ATOM 0 HG3 LYS A 44 5.948 -1.972 -14.282 1.00 71.03 H new ATOM 0 HD2 LYS A 44 8.042 -1.230 -15.400 1.00 75.15 H new ATOM 0 HD3 LYS A 44 8.730 -0.779 -13.852 1.00 75.15 H new ATOM 0 HE2 LYS A 44 8.570 -3.170 -13.097 1.00 11.11 H new ATOM 0 HE3 LYS A 44 7.908 -3.612 -14.658 1.00 11.11 H new ATOM 0 HZ1 LYS A 44 10.273 -4.044 -14.555 1.00 14.53 H new ATOM 0 HZ2 LYS A 44 9.953 -2.843 -15.712 1.00 14.53 H new ATOM 0 HZ3 LYS A 44 10.594 -2.415 -14.199 1.00 14.53 H new ATOM 752 N LYS A 45 5.366 2.919 -12.606 1.00 1.31 N ATOM 753 CA LYS A 45 4.634 4.204 -12.616 1.00 44.32 C ATOM 754 C LYS A 45 5.463 5.293 -11.927 1.00 33.34 C ATOM 755 O LYS A 45 5.275 6.485 -12.186 1.00 54.04 O ATOM 756 CB LYS A 45 3.227 4.068 -11.945 1.00 20.41 C ATOM 757 CG LYS A 45 2.204 3.239 -12.763 1.00 71.22 C ATOM 758 CD LYS A 45 2.482 1.708 -12.743 1.00 33.41 C ATOM 759 CE LYS A 45 2.000 0.999 -14.008 1.00 25.02 C ATOM 760 NZ LYS A 45 2.187 -0.480 -13.945 1.00 52.22 N ATOM 0 H LYS A 45 5.056 2.278 -11.875 1.00 1.31 H new ATOM 0 HA LYS A 45 4.473 4.492 -13.655 1.00 44.32 H new ATOM 0 HB2 LYS A 45 3.349 3.607 -10.965 1.00 20.41 H new ATOM 0 HB3 LYS A 45 2.819 5.065 -11.780 1.00 20.41 H new ATOM 0 HG2 LYS A 45 1.204 3.423 -12.371 1.00 71.22 H new ATOM 0 HG3 LYS A 45 2.210 3.587 -13.796 1.00 71.22 H new ATOM 0 HD2 LYS A 45 3.552 1.540 -12.624 1.00 33.41 H new ATOM 0 HD3 LYS A 45 1.991 1.266 -11.876 1.00 33.41 H new ATOM 0 HE2 LYS A 45 0.944 1.221 -14.165 1.00 25.02 H new ATOM 0 HE3 LYS A 45 2.540 1.393 -14.869 1.00 25.02 H new ATOM 0 HZ1 LYS A 45 2.342 -0.851 -14.904 1.00 52.22 H new ATOM 0 HZ2 LYS A 45 3.011 -0.701 -13.351 1.00 52.22 H new ATOM 0 HZ3 LYS A 45 1.338 -0.920 -13.537 1.00 52.22 H new ATOM 774 N GLY A 46 6.402 4.862 -11.071 1.00 33.13 N ATOM 775 CA GLY A 46 7.246 5.787 -10.311 1.00 73.34 C ATOM 776 C GLY A 46 6.484 6.443 -9.168 1.00 61.43 C ATOM 777 O GLY A 46 6.534 7.665 -8.992 1.00 65.11 O ATOM 0 H GLY A 46 6.594 3.877 -10.890 1.00 33.13 H new ATOM 0 HA2 GLY A 46 8.106 5.249 -9.912 1.00 73.34 H new ATOM 0 HA3 GLY A 46 7.633 6.557 -10.978 1.00 73.34 H new ATOM 781 N VAL A 47 5.768 5.608 -8.407 1.00 45.51 N ATOM 782 CA VAL A 47 4.942 6.019 -7.263 1.00 62.44 C ATOM 783 C VAL A 47 5.845 6.567 -6.138 1.00 60.13 C ATOM 784 O VAL A 47 6.820 5.918 -5.759 1.00 42.42 O ATOM 785 CB VAL A 47 4.092 4.802 -6.746 1.00 54.33 C ATOM 786 CG1 VAL A 47 3.213 5.180 -5.539 1.00 73.22 C ATOM 787 CG2 VAL A 47 3.237 4.193 -7.886 1.00 22.12 C ATOM 0 H VAL A 47 5.745 4.602 -8.573 1.00 45.51 H new ATOM 0 HA VAL A 47 4.258 6.807 -7.578 1.00 62.44 H new ATOM 0 HB VAL A 47 4.796 4.043 -6.406 1.00 54.33 H new ATOM 0 HG11 VAL A 47 2.644 4.308 -5.216 1.00 73.22 H new ATOM 0 HG12 VAL A 47 3.846 5.523 -4.721 1.00 73.22 H new ATOM 0 HG13 VAL A 47 2.526 5.977 -5.825 1.00 73.22 H new ATOM 0 HG21 VAL A 47 2.660 3.353 -7.499 1.00 22.12 H new ATOM 0 HG22 VAL A 47 2.558 4.951 -8.276 1.00 22.12 H new ATOM 0 HG23 VAL A 47 3.891 3.846 -8.686 1.00 22.12 H new ATOM 797 N GLN A 48 5.510 7.756 -5.624 1.00 62.21 N ATOM 798 CA GLN A 48 6.344 8.491 -4.655 1.00 33.24 C ATOM 799 C GLN A 48 6.189 7.887 -3.249 1.00 74.40 C ATOM 800 O GLN A 48 7.169 7.482 -2.606 1.00 40.31 O ATOM 801 CB GLN A 48 5.976 10.012 -4.639 1.00 71.24 C ATOM 802 CG GLN A 48 6.351 10.804 -5.922 1.00 2.40 C ATOM 803 CD GLN A 48 5.578 10.385 -7.185 1.00 73.21 C ATOM 804 OE1 GLN A 48 4.420 9.971 -7.123 1.00 73.24 O ATOM 805 NE2 GLN A 48 6.214 10.490 -8.340 1.00 61.44 N ATOM 0 H GLN A 48 4.647 8.242 -5.868 1.00 62.21 H new ATOM 0 HA GLN A 48 7.385 8.398 -4.964 1.00 33.24 H new ATOM 0 HB2 GLN A 48 4.903 10.107 -4.475 1.00 71.24 H new ATOM 0 HB3 GLN A 48 6.471 10.479 -3.787 1.00 71.24 H new ATOM 0 HG2 GLN A 48 6.177 11.865 -5.741 1.00 2.40 H new ATOM 0 HG3 GLN A 48 7.418 10.683 -6.109 1.00 2.40 H new ATOM 0 HE21 GLN A 48 7.173 10.836 -8.364 1.00 61.44 H new ATOM 0 HE22 GLN A 48 5.745 10.225 -9.206 1.00 61.44 H new ATOM 814 N LYS A 49 4.935 7.827 -2.796 1.00 32.45 N ATOM 815 CA LYS A 49 4.570 7.392 -1.442 1.00 64.21 C ATOM 816 C LYS A 49 3.666 6.154 -1.529 1.00 13.33 C ATOM 817 O LYS A 49 2.793 6.090 -2.394 1.00 22.50 O ATOM 818 CB LYS A 49 3.876 8.579 -0.703 1.00 4.40 C ATOM 819 CG LYS A 49 4.819 9.798 -0.464 1.00 41.52 C ATOM 820 CD LYS A 49 4.123 11.020 0.188 1.00 73.34 C ATOM 821 CE LYS A 49 3.299 11.857 -0.808 1.00 14.41 C ATOM 822 NZ LYS A 49 4.152 12.653 -1.732 1.00 70.13 N ATOM 0 H LYS A 49 4.130 8.083 -3.367 1.00 32.45 H new ATOM 0 HA LYS A 49 5.455 7.110 -0.872 1.00 64.21 H new ATOM 0 HB2 LYS A 49 3.014 8.905 -1.285 1.00 4.40 H new ATOM 0 HB3 LYS A 49 3.498 8.228 0.257 1.00 4.40 H new ATOM 0 HG2 LYS A 49 5.647 9.484 0.171 1.00 41.52 H new ATOM 0 HG3 LYS A 49 5.248 10.104 -1.418 1.00 41.52 H new ATOM 0 HD2 LYS A 49 3.469 10.672 0.988 1.00 73.34 H new ATOM 0 HD3 LYS A 49 4.879 11.657 0.648 1.00 73.34 H new ATOM 0 HE2 LYS A 49 2.659 11.195 -1.391 1.00 14.41 H new ATOM 0 HE3 LYS A 49 2.643 12.530 -0.256 1.00 14.41 H new ATOM 0 HZ1 LYS A 49 3.548 13.210 -2.369 1.00 70.13 H new ATOM 0 HZ2 LYS A 49 4.757 13.294 -1.180 1.00 70.13 H new ATOM 0 HZ3 LYS A 49 4.748 12.012 -2.293 1.00 70.13 H new ATOM 836 N VAL A 50 3.923 5.156 -0.662 1.00 24.20 N ATOM 837 CA VAL A 50 3.157 3.894 -0.592 1.00 41.21 C ATOM 838 C VAL A 50 2.774 3.604 0.872 1.00 21.44 C ATOM 839 O VAL A 50 3.632 3.609 1.757 1.00 63.10 O ATOM 840 CB VAL A 50 3.981 2.684 -1.197 1.00 31.12 C ATOM 841 CG1 VAL A 50 3.288 1.316 -0.968 1.00 70.53 C ATOM 842 CG2 VAL A 50 4.244 2.908 -2.704 1.00 45.44 C ATOM 0 H VAL A 50 4.680 5.203 0.020 1.00 24.20 H new ATOM 0 HA VAL A 50 2.252 4.007 -1.189 1.00 41.21 H new ATOM 0 HB VAL A 50 4.932 2.652 -0.666 1.00 31.12 H new ATOM 0 HG11 VAL A 50 3.896 0.523 -1.403 1.00 70.53 H new ATOM 0 HG12 VAL A 50 3.174 1.141 0.102 1.00 70.53 H new ATOM 0 HG13 VAL A 50 2.306 1.322 -1.442 1.00 70.53 H new ATOM 0 HG21 VAL A 50 4.811 2.067 -3.103 1.00 45.44 H new ATOM 0 HG22 VAL A 50 3.293 2.988 -3.231 1.00 45.44 H new ATOM 0 HG23 VAL A 50 4.813 3.827 -2.841 1.00 45.44 H new ATOM 852 N VAL A 51 1.472 3.374 1.112 1.00 12.34 N ATOM 853 CA VAL A 51 0.946 2.946 2.414 1.00 13.24 C ATOM 854 C VAL A 51 0.998 1.407 2.503 1.00 51.22 C ATOM 855 O VAL A 51 0.610 0.723 1.559 1.00 42.21 O ATOM 856 CB VAL A 51 -0.539 3.426 2.618 1.00 34.23 C ATOM 857 CG1 VAL A 51 -1.119 2.939 3.952 1.00 54.51 C ATOM 858 CG2 VAL A 51 -0.665 4.950 2.527 1.00 4.14 C ATOM 0 H VAL A 51 0.750 3.482 0.399 1.00 12.34 H new ATOM 0 HA VAL A 51 1.561 3.394 3.194 1.00 13.24 H new ATOM 0 HB VAL A 51 -1.115 2.982 1.806 1.00 34.23 H new ATOM 0 HG11 VAL A 51 -2.145 3.292 4.053 1.00 54.51 H new ATOM 0 HG12 VAL A 51 -1.106 1.849 3.978 1.00 54.51 H new ATOM 0 HG13 VAL A 51 -0.518 3.329 4.774 1.00 54.51 H new ATOM 0 HG21 VAL A 51 -1.706 5.238 2.673 1.00 4.14 H new ATOM 0 HG22 VAL A 51 -0.048 5.413 3.298 1.00 4.14 H new ATOM 0 HG23 VAL A 51 -0.331 5.285 1.545 1.00 4.14 H new ATOM 868 N LEU A 52 1.496 0.876 3.628 1.00 35.43 N ATOM 869 CA LEU A 52 1.494 -0.562 3.929 1.00 73.14 C ATOM 870 C LEU A 52 0.594 -0.811 5.165 1.00 14.15 C ATOM 871 O LEU A 52 0.974 -0.475 6.295 1.00 51.22 O ATOM 872 CB LEU A 52 2.958 -1.044 4.170 1.00 52.33 C ATOM 873 CG LEU A 52 3.944 -0.894 2.959 1.00 63.42 C ATOM 874 CD1 LEU A 52 5.364 -1.362 3.310 1.00 42.53 C ATOM 875 CD2 LEU A 52 3.436 -1.635 1.725 1.00 20.15 C ATOM 0 H LEU A 52 1.918 1.441 4.365 1.00 35.43 H new ATOM 0 HA LEU A 52 1.092 -1.132 3.092 1.00 73.14 H new ATOM 0 HB2 LEU A 52 3.366 -0.490 5.015 1.00 52.33 H new ATOM 0 HB3 LEU A 52 2.930 -2.094 4.461 1.00 52.33 H new ATOM 0 HG LEU A 52 3.988 0.170 2.728 1.00 63.42 H new ATOM 0 HD11 LEU A 52 6.012 -1.240 2.442 1.00 42.53 H new ATOM 0 HD12 LEU A 52 5.749 -0.766 4.137 1.00 42.53 H new ATOM 0 HD13 LEU A 52 5.340 -2.412 3.600 1.00 42.53 H new ATOM 0 HD21 LEU A 52 4.145 -1.508 0.907 1.00 20.15 H new ATOM 0 HD22 LEU A 52 3.332 -2.696 1.954 1.00 20.15 H new ATOM 0 HD23 LEU A 52 2.467 -1.231 1.431 1.00 20.15 H new ATOM 887 N VAL A 53 -0.632 -1.334 4.920 1.00 11.33 N ATOM 888 CA VAL A 53 -1.646 -1.621 5.966 1.00 21.21 C ATOM 889 C VAL A 53 -1.738 -3.137 6.224 1.00 73.43 C ATOM 890 O VAL A 53 -1.921 -3.922 5.281 1.00 61.44 O ATOM 891 CB VAL A 53 -3.094 -1.117 5.571 1.00 3.43 C ATOM 892 CG1 VAL A 53 -4.079 -1.215 6.766 1.00 1.54 C ATOM 893 CG2 VAL A 53 -3.078 0.307 4.991 1.00 63.23 C ATOM 0 H VAL A 53 -0.949 -1.571 3.980 1.00 11.33 H new ATOM 0 HA VAL A 53 -1.316 -1.086 6.857 1.00 21.21 H new ATOM 0 HB VAL A 53 -3.449 -1.783 4.785 1.00 3.43 H new ATOM 0 HG11 VAL A 53 -5.062 -0.860 6.457 1.00 1.54 H new ATOM 0 HG12 VAL A 53 -4.153 -2.252 7.092 1.00 1.54 H new ATOM 0 HG13 VAL A 53 -3.714 -0.601 7.589 1.00 1.54 H new ATOM 0 HG21 VAL A 53 -4.094 0.607 4.736 1.00 63.23 H new ATOM 0 HG22 VAL A 53 -2.671 0.997 5.731 1.00 63.23 H new ATOM 0 HG23 VAL A 53 -2.457 0.328 4.095 1.00 63.23 H new ATOM 903 N GLY A 54 -1.630 -3.522 7.510 1.00 10.44 N ATOM 904 CA GLY A 54 -1.848 -4.901 7.966 1.00 44.23 C ATOM 905 C GLY A 54 -0.862 -5.926 7.411 1.00 43.32 C ATOM 906 O GLY A 54 -1.116 -7.134 7.498 1.00 24.54 O ATOM 0 H GLY A 54 -1.387 -2.878 8.263 1.00 10.44 H new ATOM 0 HA2 GLY A 54 -1.796 -4.921 9.055 1.00 44.23 H new ATOM 0 HA3 GLY A 54 -2.858 -5.204 7.690 1.00 44.23 H new ATOM 910 N VAL A 55 0.271 -5.450 6.867 1.00 32.51 N ATOM 911 CA VAL A 55 1.270 -6.310 6.209 1.00 1.24 C ATOM 912 C VAL A 55 2.219 -6.919 7.258 1.00 35.13 C ATOM 913 O VAL A 55 2.250 -6.469 8.414 1.00 10.21 O ATOM 914 CB VAL A 55 2.087 -5.513 5.120 1.00 65.51 C ATOM 915 CG1 VAL A 55 1.156 -4.950 4.016 1.00 53.53 C ATOM 916 CG2 VAL A 55 2.931 -4.389 5.760 1.00 72.35 C ATOM 0 H VAL A 55 0.520 -4.461 6.871 1.00 32.51 H new ATOM 0 HA VAL A 55 0.740 -7.116 5.701 1.00 1.24 H new ATOM 0 HB VAL A 55 2.774 -6.216 4.649 1.00 65.51 H new ATOM 0 HG11 VAL A 55 1.750 -4.406 3.281 1.00 53.53 H new ATOM 0 HG12 VAL A 55 0.635 -5.772 3.525 1.00 53.53 H new ATOM 0 HG13 VAL A 55 0.427 -4.275 4.464 1.00 53.53 H new ATOM 0 HG21 VAL A 55 3.481 -3.860 4.982 1.00 72.35 H new ATOM 0 HG22 VAL A 55 2.274 -3.691 6.279 1.00 72.35 H new ATOM 0 HG23 VAL A 55 3.634 -4.822 6.471 1.00 72.35 H new ATOM 926 N SER A 56 2.968 -7.962 6.865 1.00 24.41 N ATOM 927 CA SER A 56 3.996 -8.564 7.731 1.00 71.53 C ATOM 928 C SER A 56 5.199 -7.610 7.858 1.00 23.02 C ATOM 929 O SER A 56 5.461 -6.828 6.942 1.00 4.41 O ATOM 930 CB SER A 56 4.431 -9.931 7.156 1.00 45.34 C ATOM 931 OG SER A 56 3.313 -10.791 6.988 1.00 21.30 O ATOM 0 H SER A 56 2.881 -8.407 5.951 1.00 24.41 H new ATOM 0 HA SER A 56 3.583 -8.727 8.726 1.00 71.53 H new ATOM 0 HB2 SER A 56 4.929 -9.785 6.198 1.00 45.34 H new ATOM 0 HB3 SER A 56 5.156 -10.397 7.824 1.00 45.34 H new ATOM 0 HG SER A 56 3.613 -11.649 6.621 1.00 21.30 H new ATOM 937 N GLU A 57 5.912 -7.686 8.999 1.00 45.43 N ATOM 938 CA GLU A 57 7.074 -6.818 9.302 1.00 34.43 C ATOM 939 C GLU A 57 8.168 -6.963 8.224 1.00 4.03 C ATOM 940 O GLU A 57 8.686 -5.969 7.726 1.00 11.23 O ATOM 941 CB GLU A 57 7.660 -7.187 10.688 1.00 71.44 C ATOM 942 CG GLU A 57 6.647 -7.124 11.849 1.00 34.41 C ATOM 943 CD GLU A 57 7.234 -7.658 13.167 1.00 43.21 C ATOM 944 OE1 GLU A 57 7.488 -8.873 13.250 1.00 53.23 O ATOM 945 OE2 GLU A 57 7.474 -6.875 14.104 1.00 21.35 O ATOM 0 H GLU A 57 5.700 -8.353 9.741 1.00 45.43 H new ATOM 0 HA GLU A 57 6.732 -5.783 9.312 1.00 34.43 H new ATOM 0 HB2 GLU A 57 8.073 -8.195 10.637 1.00 71.44 H new ATOM 0 HB3 GLU A 57 8.489 -6.514 10.909 1.00 71.44 H new ATOM 0 HG2 GLU A 57 6.323 -6.093 11.990 1.00 34.41 H new ATOM 0 HG3 GLU A 57 5.762 -7.703 11.587 1.00 34.41 H new ATOM 952 N LYS A 58 8.464 -8.226 7.865 1.00 2.44 N ATOM 953 CA LYS A 58 9.484 -8.572 6.856 1.00 24.33 C ATOM 954 C LYS A 58 9.079 -8.051 5.460 1.00 44.52 C ATOM 955 O LYS A 58 9.911 -7.483 4.751 1.00 33.22 O ATOM 956 CB LYS A 58 9.707 -10.108 6.818 1.00 50.43 C ATOM 957 CG LYS A 58 10.189 -10.724 8.152 1.00 3.42 C ATOM 958 CD LYS A 58 10.324 -12.264 8.079 1.00 63.15 C ATOM 959 CE LYS A 58 10.703 -12.893 9.429 1.00 44.52 C ATOM 960 NZ LYS A 58 9.629 -12.711 10.447 1.00 20.21 N ATOM 0 H LYS A 58 8.000 -9.040 8.269 1.00 2.44 H new ATOM 0 HA LYS A 58 10.420 -8.090 7.139 1.00 24.33 H new ATOM 0 HB2 LYS A 58 8.774 -10.590 6.527 1.00 50.43 H new ATOM 0 HB3 LYS A 58 10.438 -10.336 6.043 1.00 50.43 H new ATOM 0 HG2 LYS A 58 11.152 -10.290 8.422 1.00 3.42 H new ATOM 0 HG3 LYS A 58 9.488 -10.461 8.944 1.00 3.42 H new ATOM 0 HD2 LYS A 58 9.382 -12.691 7.736 1.00 63.15 H new ATOM 0 HD3 LYS A 58 11.080 -12.523 7.338 1.00 63.15 H new ATOM 0 HE2 LYS A 58 10.897 -13.957 9.292 1.00 44.52 H new ATOM 0 HE3 LYS A 58 11.628 -12.444 9.792 1.00 44.52 H new ATOM 0 HZ1 LYS A 58 9.843 -13.289 11.285 1.00 20.21 H new ATOM 0 HZ2 LYS A 58 9.577 -11.709 10.721 1.00 20.21 H new ATOM 0 HZ3 LYS A 58 8.717 -13.008 10.046 1.00 20.21 H new ATOM 974 N LEU A 59 7.793 -8.250 5.087 1.00 42.34 N ATOM 975 CA LEU A 59 7.226 -7.743 3.811 1.00 1.24 C ATOM 976 C LEU A 59 7.297 -6.206 3.752 1.00 21.24 C ATOM 977 O LEU A 59 7.597 -5.639 2.710 1.00 74.25 O ATOM 978 CB LEU A 59 5.752 -8.220 3.620 1.00 54.23 C ATOM 979 CG LEU A 59 5.532 -9.744 3.351 1.00 12.55 C ATOM 980 CD1 LEU A 59 4.022 -10.076 3.292 1.00 33.31 C ATOM 981 CD2 LEU A 59 6.257 -10.198 2.061 1.00 32.23 C ATOM 0 H LEU A 59 7.121 -8.763 5.657 1.00 42.34 H new ATOM 0 HA LEU A 59 7.827 -8.152 2.999 1.00 1.24 H new ATOM 0 HB2 LEU A 59 5.189 -7.948 4.513 1.00 54.23 H new ATOM 0 HB3 LEU A 59 5.320 -7.663 2.789 1.00 54.23 H new ATOM 0 HG LEU A 59 5.968 -10.299 4.182 1.00 12.55 H new ATOM 0 HD11 LEU A 59 3.891 -11.142 3.104 1.00 33.31 H new ATOM 0 HD12 LEU A 59 3.555 -9.815 4.241 1.00 33.31 H new ATOM 0 HD13 LEU A 59 3.555 -9.506 2.489 1.00 33.31 H new ATOM 0 HD21 LEU A 59 6.084 -11.262 1.902 1.00 32.23 H new ATOM 0 HD22 LEU A 59 5.871 -9.637 1.210 1.00 32.23 H new ATOM 0 HD23 LEU A 59 7.327 -10.015 2.161 1.00 32.23 H new ATOM 993 N LEU A 60 7.052 -5.558 4.901 1.00 72.11 N ATOM 994 CA LEU A 60 7.063 -4.090 5.027 1.00 42.54 C ATOM 995 C LEU A 60 8.459 -3.535 4.706 1.00 51.00 C ATOM 996 O LEU A 60 8.615 -2.656 3.851 1.00 74.01 O ATOM 997 CB LEU A 60 6.586 -3.680 6.457 1.00 12.23 C ATOM 998 CG LEU A 60 6.510 -2.140 6.788 1.00 43.14 C ATOM 999 CD1 LEU A 60 5.409 -1.843 7.827 1.00 61.22 C ATOM 1000 CD2 LEU A 60 7.871 -1.579 7.283 1.00 22.31 C ATOM 0 H LEU A 60 6.839 -6.039 5.775 1.00 72.11 H new ATOM 0 HA LEU A 60 6.370 -3.657 4.305 1.00 42.54 H new ATOM 0 HB2 LEU A 60 5.596 -4.107 6.616 1.00 12.23 H new ATOM 0 HB3 LEU A 60 7.254 -4.147 7.181 1.00 12.23 H new ATOM 0 HG LEU A 60 6.259 -1.636 5.855 1.00 43.14 H new ATOM 0 HD11 LEU A 60 5.383 -0.773 8.033 1.00 61.22 H new ATOM 0 HD12 LEU A 60 4.443 -2.161 7.435 1.00 61.22 H new ATOM 0 HD13 LEU A 60 5.622 -2.385 8.748 1.00 61.22 H new ATOM 0 HD21 LEU A 60 7.769 -0.515 7.498 1.00 22.31 H new ATOM 0 HD22 LEU A 60 8.174 -2.105 8.188 1.00 22.31 H new ATOM 0 HD23 LEU A 60 8.626 -1.722 6.510 1.00 22.31 H new ATOM 1012 N GLN A 61 9.458 -4.083 5.417 1.00 22.53 N ATOM 1013 CA GLN A 61 10.871 -3.692 5.288 1.00 52.55 C ATOM 1014 C GLN A 61 11.389 -4.020 3.877 1.00 31.41 C ATOM 1015 O GLN A 61 12.195 -3.275 3.324 1.00 62.13 O ATOM 1016 CB GLN A 61 11.713 -4.421 6.365 1.00 61.04 C ATOM 1017 CG GLN A 61 11.236 -4.167 7.813 1.00 75.01 C ATOM 1018 CD GLN A 61 11.807 -5.159 8.831 1.00 24.35 C ATOM 1019 OE1 GLN A 61 12.926 -5.642 8.690 1.00 3.32 O ATOM 1020 NE2 GLN A 61 11.025 -5.487 9.854 1.00 64.54 N ATOM 0 H GLN A 61 9.305 -4.819 6.106 1.00 22.53 H new ATOM 0 HA GLN A 61 10.962 -2.616 5.440 1.00 52.55 H new ATOM 0 HB2 GLN A 61 11.688 -5.493 6.168 1.00 61.04 H new ATOM 0 HB3 GLN A 61 12.752 -4.105 6.275 1.00 61.04 H new ATOM 0 HG2 GLN A 61 11.517 -3.156 8.107 1.00 75.01 H new ATOM 0 HG3 GLN A 61 10.147 -4.216 7.842 1.00 75.01 H new ATOM 0 HE21 GLN A 61 10.099 -5.068 9.943 1.00 64.54 H new ATOM 0 HE22 GLN A 61 11.350 -6.158 10.550 1.00 64.54 H new ATOM 1029 N LYS A 62 10.885 -5.139 3.308 1.00 32.31 N ATOM 1030 CA LYS A 62 11.242 -5.583 1.954 1.00 22.21 C ATOM 1031 C LYS A 62 10.798 -4.530 0.919 1.00 32.44 C ATOM 1032 O LYS A 62 11.650 -3.922 0.290 1.00 13.53 O ATOM 1033 CB LYS A 62 10.640 -6.981 1.626 1.00 4.42 C ATOM 1034 CG LYS A 62 10.941 -7.469 0.190 1.00 50.15 C ATOM 1035 CD LYS A 62 10.351 -8.857 -0.133 1.00 62.31 C ATOM 1036 CE LYS A 62 10.493 -9.214 -1.626 1.00 21.44 C ATOM 1037 NZ LYS A 62 11.912 -9.194 -2.088 1.00 42.40 N ATOM 0 H LYS A 62 10.221 -5.754 3.779 1.00 32.31 H new ATOM 0 HA LYS A 62 12.326 -5.686 1.907 1.00 22.21 H new ATOM 0 HB2 LYS A 62 11.030 -7.710 2.337 1.00 4.42 H new ATOM 0 HB3 LYS A 62 9.560 -6.944 1.768 1.00 4.42 H new ATOM 0 HG2 LYS A 62 10.546 -6.743 -0.521 1.00 50.15 H new ATOM 0 HG3 LYS A 62 12.021 -7.501 0.046 1.00 50.15 H new ATOM 0 HD2 LYS A 62 10.854 -9.613 0.470 1.00 62.31 H new ATOM 0 HD3 LYS A 62 9.297 -8.876 0.145 1.00 62.31 H new ATOM 0 HE2 LYS A 62 10.072 -10.204 -1.801 1.00 21.44 H new ATOM 0 HE3 LYS A 62 9.911 -8.510 -2.221 1.00 21.44 H new ATOM 0 HZ1 LYS A 62 12.052 -9.928 -2.812 1.00 42.40 H new ATOM 0 HZ2 LYS A 62 12.132 -8.262 -2.493 1.00 42.40 H new ATOM 0 HZ3 LYS A 62 12.542 -9.379 -1.282 1.00 42.40 H new ATOM 1051 N ILE A 63 9.465 -4.287 0.813 1.00 71.45 N ATOM 1052 CA ILE A 63 8.864 -3.324 -0.157 1.00 12.43 C ATOM 1053 C ILE A 63 9.536 -1.920 -0.038 1.00 51.11 C ATOM 1054 O ILE A 63 9.757 -1.241 -1.047 1.00 20.01 O ATOM 1055 CB ILE A 63 7.268 -3.237 0.012 1.00 15.45 C ATOM 1056 CG1 ILE A 63 6.518 -4.414 -0.728 1.00 14.31 C ATOM 1057 CG2 ILE A 63 6.676 -1.874 -0.445 1.00 52.53 C ATOM 1058 CD1 ILE A 63 6.892 -5.829 -0.301 1.00 63.32 C ATOM 0 H ILE A 63 8.772 -4.753 1.398 1.00 71.45 H new ATOM 0 HA ILE A 63 9.058 -3.697 -1.163 1.00 12.43 H new ATOM 0 HB ILE A 63 7.098 -3.333 1.084 1.00 15.45 H new ATOM 0 HG12 ILE A 63 5.446 -4.284 -0.579 1.00 14.31 H new ATOM 0 HG13 ILE A 63 6.704 -4.319 -1.798 1.00 14.31 H new ATOM 0 HG21 ILE A 63 5.595 -1.881 -0.305 1.00 52.53 H new ATOM 0 HG22 ILE A 63 7.113 -1.070 0.147 1.00 52.53 H new ATOM 0 HG23 ILE A 63 6.904 -1.713 -1.499 1.00 52.53 H new ATOM 0 HD11 ILE A 63 6.312 -6.549 -0.879 1.00 63.32 H new ATOM 0 HD12 ILE A 63 7.955 -5.994 -0.478 1.00 63.32 H new ATOM 0 HD13 ILE A 63 6.677 -5.958 0.760 1.00 63.32 H new ATOM 1070 N LYS A 64 9.893 -1.545 1.208 1.00 22.23 N ATOM 1071 CA LYS A 64 10.626 -0.301 1.522 1.00 51.11 C ATOM 1072 C LYS A 64 11.998 -0.279 0.796 1.00 11.25 C ATOM 1073 O LYS A 64 12.329 0.695 0.122 1.00 11.23 O ATOM 1074 CB LYS A 64 10.785 -0.190 3.079 1.00 32.13 C ATOM 1075 CG LYS A 64 11.366 1.143 3.640 1.00 43.11 C ATOM 1076 CD LYS A 64 12.916 1.205 3.650 1.00 52.34 C ATOM 1077 CE LYS A 64 13.447 2.546 4.179 1.00 61.15 C ATOM 1078 NZ LYS A 64 14.931 2.642 4.103 1.00 43.41 N ATOM 0 H LYS A 64 9.678 -2.104 2.034 1.00 22.23 H new ATOM 0 HA LYS A 64 10.067 0.564 1.165 1.00 51.11 H new ATOM 0 HB2 LYS A 64 9.806 -0.349 3.531 1.00 32.13 H new ATOM 0 HB3 LYS A 64 11.427 -1.006 3.413 1.00 32.13 H new ATOM 0 HG2 LYS A 64 10.984 1.972 3.045 1.00 43.11 H new ATOM 0 HG3 LYS A 64 11.001 1.286 4.657 1.00 43.11 H new ATOM 0 HD2 LYS A 64 13.305 0.395 4.267 1.00 52.34 H new ATOM 0 HD3 LYS A 64 13.290 1.043 2.639 1.00 52.34 H new ATOM 0 HE2 LYS A 64 13.004 3.360 3.606 1.00 61.15 H new ATOM 0 HE3 LYS A 64 13.130 2.676 5.214 1.00 61.15 H new ATOM 0 HZ1 LYS A 64 15.239 3.565 4.472 1.00 43.41 H new ATOM 0 HZ2 LYS A 64 15.358 1.883 4.671 1.00 43.41 H new ATOM 0 HZ3 LYS A 64 15.235 2.546 3.113 1.00 43.41 H new ATOM 1092 N GLN A 65 12.760 -1.376 0.934 1.00 32.54 N ATOM 1093 CA GLN A 65 14.134 -1.496 0.387 1.00 53.05 C ATOM 1094 C GLN A 65 14.143 -1.733 -1.141 1.00 51.30 C ATOM 1095 O GLN A 65 15.060 -1.280 -1.828 1.00 71.13 O ATOM 1096 CB GLN A 65 14.893 -2.644 1.116 1.00 61.13 C ATOM 1097 CG GLN A 65 15.108 -2.416 2.629 1.00 53.12 C ATOM 1098 CD GLN A 65 15.744 -3.622 3.333 1.00 63.43 C ATOM 1099 OE1 GLN A 65 16.967 -3.724 3.442 1.00 12.44 O ATOM 1100 NE2 GLN A 65 14.921 -4.556 3.798 1.00 44.02 N ATOM 0 H GLN A 65 12.445 -2.211 1.429 1.00 32.54 H new ATOM 0 HA GLN A 65 14.641 -0.548 0.564 1.00 53.05 H new ATOM 0 HB2 GLN A 65 14.340 -3.573 0.977 1.00 61.13 H new ATOM 0 HB3 GLN A 65 15.865 -2.778 0.641 1.00 61.13 H new ATOM 0 HG2 GLN A 65 15.743 -1.542 2.772 1.00 53.12 H new ATOM 0 HG3 GLN A 65 14.149 -2.193 3.097 1.00 53.12 H new ATOM 0 HE21 GLN A 65 13.912 -4.445 3.694 1.00 44.02 H new ATOM 0 HE22 GLN A 65 15.298 -5.384 4.259 1.00 44.02 H new ATOM 1109 N GLU A 66 13.118 -2.437 -1.661 1.00 30.10 N ATOM 1110 CA GLU A 66 13.051 -2.836 -3.087 1.00 5.33 C ATOM 1111 C GLU A 66 12.608 -1.647 -3.958 1.00 40.13 C ATOM 1112 O GLU A 66 13.211 -1.362 -4.997 1.00 55.21 O ATOM 1113 CB GLU A 66 12.067 -4.027 -3.286 1.00 12.30 C ATOM 1114 CG GLU A 66 12.322 -5.275 -2.408 1.00 33.15 C ATOM 1115 CD GLU A 66 13.634 -6.031 -2.686 1.00 71.21 C ATOM 1116 OE1 GLU A 66 14.698 -5.624 -2.169 1.00 63.03 O ATOM 1117 OE2 GLU A 66 13.603 -7.061 -3.396 1.00 70.04 O ATOM 0 H GLU A 66 12.316 -2.745 -1.111 1.00 30.10 H new ATOM 0 HA GLU A 66 14.048 -3.152 -3.393 1.00 5.33 H new ATOM 0 HB2 GLU A 66 11.055 -3.672 -3.092 1.00 12.30 H new ATOM 0 HB3 GLU A 66 12.103 -4.331 -4.332 1.00 12.30 H new ATOM 0 HG2 GLU A 66 12.316 -4.968 -1.362 1.00 33.15 H new ATOM 0 HG3 GLU A 66 11.490 -5.967 -2.542 1.00 33.15 H new ATOM 1124 N ALA A 67 11.528 -0.969 -3.522 1.00 61.32 N ATOM 1125 CA ALA A 67 10.920 0.149 -4.269 1.00 72.33 C ATOM 1126 C ALA A 67 11.548 1.508 -3.890 1.00 34.43 C ATOM 1127 O ALA A 67 11.504 2.446 -4.693 1.00 41.35 O ATOM 1128 CB ALA A 67 9.401 0.150 -4.053 1.00 33.23 C ATOM 0 H ALA A 67 11.054 -1.181 -2.644 1.00 61.32 H new ATOM 0 HA ALA A 67 11.124 0.003 -5.330 1.00 72.33 H new ATOM 0 HB1 ALA A 67 8.955 0.977 -4.606 1.00 33.23 H new ATOM 0 HB2 ALA A 67 8.982 -0.792 -4.408 1.00 33.23 H new ATOM 0 HB3 ALA A 67 9.185 0.265 -2.991 1.00 33.23 H new ATOM 1134 N ASN A 68 12.109 1.603 -2.660 1.00 62.11 N ATOM 1135 CA ASN A 68 12.812 2.820 -2.150 1.00 1.13 C ATOM 1136 C ASN A 68 11.865 4.036 -2.109 1.00 74.21 C ATOM 1137 O ASN A 68 12.206 5.135 -2.553 1.00 41.43 O ATOM 1138 CB ASN A 68 14.112 3.110 -2.968 1.00 33.01 C ATOM 1139 CG ASN A 68 15.151 1.996 -2.836 1.00 43.33 C ATOM 1140 OD1 ASN A 68 16.009 2.027 -1.953 1.00 35.12 O ATOM 1141 ND2 ASN A 68 15.069 0.996 -3.697 1.00 23.41 N ATOM 0 H ASN A 68 12.090 0.838 -1.986 1.00 62.11 H new ATOM 0 HA ASN A 68 13.122 2.624 -1.124 1.00 1.13 H new ATOM 0 HB2 ASN A 68 13.854 3.238 -4.019 1.00 33.01 H new ATOM 0 HB3 ASN A 68 14.548 4.050 -2.629 1.00 33.01 H new ATOM 0 HD21 ASN A 68 15.728 0.220 -3.641 1.00 23.41 H new ATOM 0 HD22 ASN A 68 14.346 1.001 -4.417 1.00 23.41 H new ATOM 1148 N VAL A 69 10.674 3.812 -1.535 1.00 71.35 N ATOM 1149 CA VAL A 69 9.568 4.801 -1.484 1.00 2.55 C ATOM 1150 C VAL A 69 9.160 5.090 -0.027 1.00 54.12 C ATOM 1151 O VAL A 69 9.428 4.273 0.865 1.00 73.45 O ATOM 1152 CB VAL A 69 8.323 4.286 -2.293 1.00 5.41 C ATOM 1153 CG1 VAL A 69 8.640 4.215 -3.804 1.00 11.23 C ATOM 1154 CG2 VAL A 69 7.838 2.920 -1.747 1.00 51.32 C ATOM 0 H VAL A 69 10.441 2.927 -1.084 1.00 71.35 H new ATOM 0 HA VAL A 69 9.926 5.725 -1.939 1.00 2.55 H new ATOM 0 HB VAL A 69 7.510 5.000 -2.162 1.00 5.41 H new ATOM 0 HG11 VAL A 69 7.763 3.856 -4.343 1.00 11.23 H new ATOM 0 HG12 VAL A 69 8.908 5.207 -4.167 1.00 11.23 H new ATOM 0 HG13 VAL A 69 9.473 3.531 -3.969 1.00 11.23 H new ATOM 0 HG21 VAL A 69 6.976 2.584 -2.322 1.00 51.32 H new ATOM 0 HG22 VAL A 69 8.641 2.188 -1.834 1.00 51.32 H new ATOM 0 HG23 VAL A 69 7.556 3.026 -0.699 1.00 51.32 H new ATOM 1164 N GLN A 70 8.491 6.242 0.193 1.00 54.30 N ATOM 1165 CA GLN A 70 8.067 6.678 1.537 1.00 15.12 C ATOM 1166 C GLN A 70 6.941 5.750 2.026 1.00 52.23 C ATOM 1167 O GLN A 70 5.843 5.764 1.468 1.00 44.24 O ATOM 1168 CB GLN A 70 7.577 8.157 1.539 1.00 13.13 C ATOM 1169 CG GLN A 70 8.640 9.234 1.166 1.00 60.01 C ATOM 1170 CD GLN A 70 8.978 9.274 -0.332 1.00 23.11 C ATOM 1171 OE1 GLN A 70 8.358 10.001 -1.104 1.00 32.05 O ATOM 1172 NE2 GLN A 70 9.998 8.540 -0.747 1.00 11.14 N ATOM 0 H GLN A 70 8.232 6.890 -0.551 1.00 54.30 H new ATOM 0 HA GLN A 70 8.925 6.621 2.207 1.00 15.12 H new ATOM 0 HB2 GLN A 70 6.743 8.243 0.842 1.00 13.13 H new ATOM 0 HB3 GLN A 70 7.189 8.388 2.531 1.00 13.13 H new ATOM 0 HG2 GLN A 70 8.275 10.214 1.474 1.00 60.01 H new ATOM 0 HG3 GLN A 70 9.552 9.042 1.730 1.00 60.01 H new ATOM 0 HE21 GLN A 70 10.498 7.943 -0.088 1.00 11.14 H new ATOM 0 HE22 GLN A 70 10.284 8.571 -1.726 1.00 11.14 H new ATOM 1181 N VAL A 71 7.227 4.972 3.076 1.00 23.44 N ATOM 1182 CA VAL A 71 6.307 3.947 3.600 1.00 20.31 C ATOM 1183 C VAL A 71 5.487 4.511 4.771 1.00 33.32 C ATOM 1184 O VAL A 71 6.040 5.036 5.740 1.00 1.21 O ATOM 1185 CB VAL A 71 7.102 2.658 4.047 1.00 41.44 C ATOM 1186 CG1 VAL A 71 6.237 1.697 4.906 1.00 51.32 C ATOM 1187 CG2 VAL A 71 7.674 1.930 2.805 1.00 45.04 C ATOM 0 H VAL A 71 8.106 5.033 3.591 1.00 23.44 H new ATOM 0 HA VAL A 71 5.620 3.662 2.803 1.00 20.31 H new ATOM 0 HB VAL A 71 7.927 2.983 4.681 1.00 41.44 H new ATOM 0 HG11 VAL A 71 6.830 0.827 5.187 1.00 51.32 H new ATOM 0 HG12 VAL A 71 5.902 2.214 5.805 1.00 51.32 H new ATOM 0 HG13 VAL A 71 5.370 1.374 4.329 1.00 51.32 H new ATOM 0 HG21 VAL A 71 8.221 1.042 3.123 1.00 45.04 H new ATOM 0 HG22 VAL A 71 6.856 1.636 2.147 1.00 45.04 H new ATOM 0 HG23 VAL A 71 8.348 2.599 2.270 1.00 45.04 H new ATOM 1197 N TYR A 72 4.155 4.406 4.643 1.00 41.53 N ATOM 1198 CA TYR A 72 3.204 4.803 5.690 1.00 12.54 C ATOM 1199 C TYR A 72 2.587 3.543 6.308 1.00 4.15 C ATOM 1200 O TYR A 72 1.726 2.908 5.705 1.00 2.32 O ATOM 1201 CB TYR A 72 2.107 5.716 5.079 1.00 52.21 C ATOM 1202 CG TYR A 72 2.642 7.083 4.630 1.00 64.12 C ATOM 1203 CD1 TYR A 72 3.310 7.236 3.409 1.00 34.03 C ATOM 1204 CD2 TYR A 72 2.515 8.207 5.446 1.00 71.21 C ATOM 1205 CE1 TYR A 72 3.816 8.461 3.024 1.00 42.02 C ATOM 1206 CE2 TYR A 72 3.027 9.430 5.064 1.00 4.31 C ATOM 1207 CZ TYR A 72 3.679 9.550 3.854 1.00 23.34 C ATOM 1208 OH TYR A 72 4.200 10.771 3.480 1.00 41.02 O ATOM 0 H TYR A 72 3.706 4.040 3.803 1.00 41.53 H new ATOM 0 HA TYR A 72 3.717 5.363 6.472 1.00 12.54 H new ATOM 0 HB2 TYR A 72 1.656 5.211 4.225 1.00 52.21 H new ATOM 0 HB3 TYR A 72 1.316 5.866 5.814 1.00 52.21 H new ATOM 0 HD1 TYR A 72 3.431 6.382 2.759 1.00 34.03 H new ATOM 0 HD2 TYR A 72 2.006 8.118 6.395 1.00 71.21 H new ATOM 0 HE1 TYR A 72 4.318 8.565 2.074 1.00 42.02 H new ATOM 0 HE2 TYR A 72 2.918 10.289 5.709 1.00 4.31 H new ATOM 0 HH TYR A 72 4.015 11.433 4.178 1.00 41.02 H new ATOM 1218 N ARG A 73 3.071 3.176 7.504 1.00 52.52 N ATOM 1219 CA ARG A 73 2.522 2.038 8.248 1.00 32.25 C ATOM 1220 C ARG A 73 1.264 2.521 8.984 1.00 73.44 C ATOM 1221 O ARG A 73 1.351 3.269 9.961 1.00 63.12 O ATOM 1222 CB ARG A 73 3.581 1.489 9.243 1.00 60.13 C ATOM 1223 CG ARG A 73 3.118 0.268 10.079 1.00 60.21 C ATOM 1224 CD ARG A 73 4.211 -0.222 11.052 1.00 72.30 C ATOM 1225 NE ARG A 73 3.811 -1.454 11.770 1.00 53.30 N ATOM 1226 CZ ARG A 73 4.650 -2.453 12.116 1.00 13.54 C ATOM 1227 NH1 ARG A 73 5.939 -2.392 11.816 1.00 51.24 N ATOM 1228 NH2 ARG A 73 4.182 -3.507 12.768 1.00 12.44 N ATOM 0 H ARG A 73 3.841 3.652 7.974 1.00 52.52 H new ATOM 0 HA ARG A 73 2.261 1.224 7.572 1.00 32.25 H new ATOM 0 HB2 ARG A 73 4.474 1.211 8.684 1.00 60.13 H new ATOM 0 HB3 ARG A 73 3.868 2.290 9.924 1.00 60.13 H new ATOM 0 HG2 ARG A 73 2.225 0.534 10.644 1.00 60.21 H new ATOM 0 HG3 ARG A 73 2.840 -0.545 9.408 1.00 60.21 H new ATOM 0 HD2 ARG A 73 5.131 -0.409 10.498 1.00 72.30 H new ATOM 0 HD3 ARG A 73 4.429 0.563 11.776 1.00 72.30 H new ATOM 0 HE ARG A 73 2.828 -1.555 12.022 1.00 53.30 H new ATOM 0 HH11 ARG A 73 6.309 -1.583 11.317 1.00 51.24 H new ATOM 0 HH12 ARG A 73 6.562 -3.154 12.084 1.00 51.24 H new ATOM 0 HH21 ARG A 73 3.192 -3.561 13.006 1.00 12.44 H new ATOM 0 HH22 ARG A 73 4.812 -4.265 13.032 1.00 12.44 H new ATOM 1242 N VAL A 74 0.103 2.111 8.466 1.00 41.23 N ATOM 1243 CA VAL A 74 -1.204 2.480 9.025 1.00 12.45 C ATOM 1244 C VAL A 74 -1.704 1.359 9.949 1.00 4.40 C ATOM 1245 O VAL A 74 -1.720 0.187 9.561 1.00 13.32 O ATOM 1246 CB VAL A 74 -2.227 2.763 7.861 1.00 74.13 C ATOM 1247 CG1 VAL A 74 -3.691 2.706 8.338 1.00 42.22 C ATOM 1248 CG2 VAL A 74 -1.929 4.136 7.199 1.00 13.35 C ATOM 0 H VAL A 74 0.041 1.511 7.643 1.00 41.23 H new ATOM 0 HA VAL A 74 -1.107 3.392 9.615 1.00 12.45 H new ATOM 0 HB VAL A 74 -2.098 1.971 7.123 1.00 74.13 H new ATOM 0 HG11 VAL A 74 -4.356 2.908 7.498 1.00 42.22 H new ATOM 0 HG12 VAL A 74 -3.905 1.715 8.740 1.00 42.22 H new ATOM 0 HG13 VAL A 74 -3.850 3.454 9.114 1.00 42.22 H new ATOM 0 HG21 VAL A 74 -2.645 4.316 6.397 1.00 13.35 H new ATOM 0 HG22 VAL A 74 -2.014 4.926 7.945 1.00 13.35 H new ATOM 0 HG23 VAL A 74 -0.919 4.131 6.790 1.00 13.35 H new ATOM 1258 N THR A 75 -2.107 1.754 11.165 1.00 32.11 N ATOM 1259 CA THR A 75 -2.595 0.834 12.207 1.00 73.35 C ATOM 1260 C THR A 75 -4.130 0.636 12.154 1.00 62.11 C ATOM 1261 O THR A 75 -4.630 -0.459 12.454 1.00 52.10 O ATOM 1262 CB THR A 75 -2.180 1.385 13.608 1.00 12.44 C ATOM 1263 OG1 THR A 75 -2.623 2.748 13.735 1.00 12.02 O ATOM 1264 CG2 THR A 75 -0.653 1.327 13.826 1.00 72.01 C ATOM 0 H THR A 75 -2.104 2.731 11.458 1.00 32.11 H new ATOM 0 HA THR A 75 -2.142 -0.141 12.028 1.00 73.35 H new ATOM 0 HB THR A 75 -2.650 0.755 14.363 1.00 12.44 H new ATOM 0 HG1 THR A 75 -2.365 3.095 14.614 1.00 12.02 H new ATOM 0 HG21 THR A 75 -0.411 1.720 14.813 1.00 72.01 H new ATOM 0 HG22 THR A 75 -0.314 0.293 13.754 1.00 72.01 H new ATOM 0 HG23 THR A 75 -0.154 1.926 13.065 1.00 72.01 H new ATOM 1272 N SER A 76 -4.861 1.685 11.754 1.00 10.32 N ATOM 1273 CA SER A 76 -6.346 1.692 11.731 1.00 34.13 C ATOM 1274 C SER A 76 -6.857 2.548 10.561 1.00 12.04 C ATOM 1275 O SER A 76 -6.140 3.428 10.084 1.00 63.33 O ATOM 1276 CB SER A 76 -6.906 2.233 13.077 1.00 24.24 C ATOM 1277 OG SER A 76 -6.461 1.460 14.182 1.00 22.15 O ATOM 0 H SER A 76 -4.446 2.560 11.434 1.00 10.32 H new ATOM 0 HA SER A 76 -6.695 0.669 11.595 1.00 34.13 H new ATOM 0 HB2 SER A 76 -6.595 3.269 13.210 1.00 24.24 H new ATOM 0 HB3 SER A 76 -7.996 2.228 13.045 1.00 24.24 H new ATOM 0 HG SER A 76 -6.831 1.830 15.010 1.00 22.15 H new ATOM 1283 N ASN A 77 -8.117 2.303 10.125 1.00 2.40 N ATOM 1284 CA ASN A 77 -8.741 3.017 8.983 1.00 61.10 C ATOM 1285 C ASN A 77 -8.815 4.542 9.226 1.00 64.23 C ATOM 1286 O ASN A 77 -8.803 5.312 8.275 1.00 51.34 O ATOM 1287 CB ASN A 77 -10.151 2.435 8.682 1.00 42.02 C ATOM 1288 CG ASN A 77 -10.878 3.145 7.521 1.00 61.30 C ATOM 1289 OD1 ASN A 77 -11.676 4.158 7.833 1.00 31.22 O flip ATOM 1290 ND2 ASN A 77 -10.736 2.774 6.355 1.00 33.33 N flip ATOM 0 H ASN A 77 -8.728 1.607 10.553 1.00 2.40 H new ATOM 0 HA ASN A 77 -8.105 2.861 8.111 1.00 61.10 H new ATOM 0 HB2 ASN A 77 -10.054 1.375 8.445 1.00 42.02 H new ATOM 0 HB3 ASN A 77 -10.764 2.506 9.581 1.00 42.02 H new ATOM 0 HD21 ASN A 77 -10.117 1.993 6.140 1.00 33.33 H new ATOM 0 HD22 ASN A 77 -11.238 3.248 5.604 1.00 33.33 H new ATOM 1297 N ASP A 78 -8.872 4.949 10.505 1.00 75.11 N ATOM 1298 CA ASP A 78 -8.816 6.374 10.915 1.00 75.14 C ATOM 1299 C ASP A 78 -7.516 7.017 10.405 1.00 22.14 C ATOM 1300 O ASP A 78 -7.531 8.092 9.805 1.00 63.33 O ATOM 1301 CB ASP A 78 -8.865 6.494 12.462 1.00 55.24 C ATOM 1302 CG ASP A 78 -10.064 5.768 13.079 1.00 12.23 C ATOM 1303 OD1 ASP A 78 -9.999 4.528 13.243 1.00 11.32 O ATOM 1304 OD2 ASP A 78 -11.091 6.411 13.376 1.00 30.14 O ATOM 0 H ASP A 78 -8.958 4.303 11.290 1.00 75.11 H new ATOM 0 HA ASP A 78 -9.675 6.889 10.485 1.00 75.14 H new ATOM 0 HB2 ASP A 78 -7.945 6.087 12.882 1.00 55.24 H new ATOM 0 HB3 ASP A 78 -8.903 7.548 12.739 1.00 55.24 H new ATOM 1309 N GLU A 79 -6.402 6.300 10.646 1.00 72.42 N ATOM 1310 CA GLU A 79 -5.048 6.718 10.241 1.00 13.45 C ATOM 1311 C GLU A 79 -4.900 6.661 8.717 1.00 3.51 C ATOM 1312 O GLU A 79 -4.239 7.510 8.127 1.00 24.50 O ATOM 1313 CB GLU A 79 -3.980 5.820 10.924 1.00 61.42 C ATOM 1314 CG GLU A 79 -4.163 5.659 12.448 1.00 12.34 C ATOM 1315 CD GLU A 79 -4.257 6.998 13.210 1.00 35.12 C ATOM 1316 OE1 GLU A 79 -3.213 7.652 13.417 1.00 10.03 O ATOM 1317 OE2 GLU A 79 -5.373 7.405 13.605 1.00 15.22 O ATOM 0 H GLU A 79 -6.418 5.404 11.133 1.00 72.42 H new ATOM 0 HA GLU A 79 -4.894 7.748 10.562 1.00 13.45 H new ATOM 0 HB2 GLU A 79 -4.003 4.833 10.461 1.00 61.42 H new ATOM 0 HB3 GLU A 79 -2.993 6.240 10.731 1.00 61.42 H new ATOM 0 HG2 GLU A 79 -5.067 5.080 12.637 1.00 12.34 H new ATOM 0 HG3 GLU A 79 -3.327 5.083 12.846 1.00 12.34 H new ATOM 1324 N LEU A 80 -5.551 5.646 8.095 1.00 73.32 N ATOM 1325 CA LEU A 80 -5.560 5.452 6.628 1.00 12.01 C ATOM 1326 C LEU A 80 -6.137 6.698 5.956 1.00 43.11 C ATOM 1327 O LEU A 80 -5.488 7.288 5.089 1.00 72.12 O ATOM 1328 CB LEU A 80 -6.376 4.165 6.257 1.00 14.12 C ATOM 1329 CG LEU A 80 -6.443 3.710 4.748 1.00 75.10 C ATOM 1330 CD1 LEU A 80 -7.476 4.503 3.907 1.00 34.43 C ATOM 1331 CD2 LEU A 80 -5.042 3.738 4.086 1.00 1.52 C ATOM 0 H LEU A 80 -6.085 4.939 8.600 1.00 73.32 H new ATOM 0 HA LEU A 80 -4.541 5.309 6.268 1.00 12.01 H new ATOM 0 HB2 LEU A 80 -5.963 3.336 6.832 1.00 14.12 H new ATOM 0 HB3 LEU A 80 -7.399 4.314 6.602 1.00 14.12 H new ATOM 0 HG LEU A 80 -6.796 2.679 4.765 1.00 75.10 H new ATOM 0 HD11 LEU A 80 -7.467 4.137 2.880 1.00 34.43 H new ATOM 0 HD12 LEU A 80 -8.471 4.369 4.332 1.00 34.43 H new ATOM 0 HD13 LEU A 80 -7.217 5.562 3.917 1.00 34.43 H new ATOM 0 HD21 LEU A 80 -5.124 3.419 3.047 1.00 1.52 H new ATOM 0 HD22 LEU A 80 -4.642 4.751 4.124 1.00 1.52 H new ATOM 0 HD23 LEU A 80 -4.373 3.064 4.621 1.00 1.52 H new ATOM 1343 N GLU A 81 -7.354 7.080 6.398 1.00 22.21 N ATOM 1344 CA GLU A 81 -8.079 8.242 5.865 1.00 4.22 C ATOM 1345 C GLU A 81 -7.206 9.496 5.966 1.00 65.12 C ATOM 1346 O GLU A 81 -7.002 10.175 4.970 1.00 25.14 O ATOM 1347 CB GLU A 81 -9.417 8.446 6.616 1.00 21.24 C ATOM 1348 CG GLU A 81 -10.437 7.314 6.407 1.00 34.04 C ATOM 1349 CD GLU A 81 -11.745 7.558 7.173 1.00 54.14 C ATOM 1350 OE1 GLU A 81 -12.637 8.252 6.640 1.00 23.03 O ATOM 1351 OE2 GLU A 81 -11.882 7.080 8.320 1.00 52.55 O ATOM 0 H GLU A 81 -7.858 6.588 7.136 1.00 22.21 H new ATOM 0 HA GLU A 81 -8.308 8.058 4.815 1.00 4.22 H new ATOM 0 HB2 GLU A 81 -9.211 8.542 7.682 1.00 21.24 H new ATOM 0 HB3 GLU A 81 -9.863 9.386 6.292 1.00 21.24 H new ATOM 0 HG2 GLU A 81 -10.655 7.216 5.343 1.00 34.04 H new ATOM 0 HG3 GLU A 81 -10.000 6.370 6.731 1.00 34.04 H new ATOM 1358 N GLN A 82 -6.622 9.713 7.162 1.00 61.02 N ATOM 1359 CA GLN A 82 -5.786 10.894 7.453 1.00 24.10 C ATOM 1360 C GLN A 82 -4.540 10.947 6.543 1.00 0.41 C ATOM 1361 O GLN A 82 -4.157 12.031 6.093 1.00 45.30 O ATOM 1362 CB GLN A 82 -5.380 10.927 8.955 1.00 33.41 C ATOM 1363 CG GLN A 82 -6.563 11.171 9.925 1.00 31.02 C ATOM 1364 CD GLN A 82 -7.264 12.531 9.731 1.00 14.31 C ATOM 1365 OE1 GLN A 82 -6.637 13.527 9.356 1.00 14.10 O ATOM 1366 NE2 GLN A 82 -8.567 12.584 9.975 1.00 22.41 N ATOM 0 H GLN A 82 -6.717 9.075 7.952 1.00 61.02 H new ATOM 0 HA GLN A 82 -6.383 11.781 7.240 1.00 24.10 H new ATOM 0 HB2 GLN A 82 -4.903 9.981 9.212 1.00 33.41 H new ATOM 0 HB3 GLN A 82 -4.636 11.710 9.102 1.00 33.41 H new ATOM 0 HG2 GLN A 82 -7.296 10.375 9.795 1.00 31.02 H new ATOM 0 HG3 GLN A 82 -6.198 11.105 10.950 1.00 31.02 H new ATOM 0 HE21 GLN A 82 -9.062 11.748 10.284 1.00 22.41 H new ATOM 0 HE22 GLN A 82 -9.073 13.461 9.854 1.00 22.41 H new ATOM 1375 N VAL A 83 -3.933 9.773 6.268 1.00 72.32 N ATOM 1376 CA VAL A 83 -2.753 9.664 5.382 1.00 63.44 C ATOM 1377 C VAL A 83 -3.124 10.029 3.933 1.00 0.51 C ATOM 1378 O VAL A 83 -2.411 10.799 3.298 1.00 64.24 O ATOM 1379 CB VAL A 83 -2.091 8.227 5.446 1.00 52.10 C ATOM 1380 CG1 VAL A 83 -1.057 8.010 4.313 1.00 70.12 C ATOM 1381 CG2 VAL A 83 -1.427 7.985 6.824 1.00 12.21 C ATOM 0 H VAL A 83 -4.244 8.880 6.650 1.00 72.32 H new ATOM 0 HA VAL A 83 -2.012 10.377 5.743 1.00 63.44 H new ATOM 0 HB VAL A 83 -2.894 7.503 5.306 1.00 52.10 H new ATOM 0 HG11 VAL A 83 -0.629 7.011 4.397 1.00 70.12 H new ATOM 0 HG12 VAL A 83 -1.550 8.113 3.346 1.00 70.12 H new ATOM 0 HG13 VAL A 83 -0.264 8.753 4.397 1.00 70.12 H new ATOM 0 HG21 VAL A 83 -0.980 6.991 6.843 1.00 12.21 H new ATOM 0 HG22 VAL A 83 -0.654 8.734 6.992 1.00 12.21 H new ATOM 0 HG23 VAL A 83 -2.180 8.059 7.609 1.00 12.21 H new ATOM 1391 N VAL A 84 -4.251 9.493 3.431 1.00 33.23 N ATOM 1392 CA VAL A 84 -4.672 9.707 2.028 1.00 43.42 C ATOM 1393 C VAL A 84 -5.223 11.148 1.824 1.00 3.10 C ATOM 1394 O VAL A 84 -5.160 11.696 0.715 1.00 44.22 O ATOM 1395 CB VAL A 84 -5.718 8.635 1.544 1.00 71.42 C ATOM 1396 CG1 VAL A 84 -5.983 8.769 0.023 1.00 21.41 C ATOM 1397 CG2 VAL A 84 -5.265 7.194 1.895 1.00 22.42 C ATOM 0 H VAL A 84 -4.888 8.909 3.972 1.00 33.23 H new ATOM 0 HA VAL A 84 -3.782 9.585 1.411 1.00 43.42 H new ATOM 0 HB VAL A 84 -6.650 8.827 2.075 1.00 71.42 H new ATOM 0 HG11 VAL A 84 -6.709 8.018 -0.287 1.00 21.41 H new ATOM 0 HG12 VAL A 84 -6.375 9.763 -0.192 1.00 21.41 H new ATOM 0 HG13 VAL A 84 -5.051 8.621 -0.523 1.00 21.41 H new ATOM 0 HG21 VAL A 84 -6.013 6.482 1.545 1.00 22.42 H new ATOM 0 HG22 VAL A 84 -4.311 6.985 1.412 1.00 22.42 H new ATOM 0 HG23 VAL A 84 -5.153 7.101 2.975 1.00 22.42 H new ATOM 1407 N LYS A 85 -5.735 11.752 2.913 1.00 1.20 N ATOM 1408 CA LYS A 85 -6.137 13.182 2.941 1.00 3.14 C ATOM 1409 C LYS A 85 -4.885 14.083 2.865 1.00 42.15 C ATOM 1410 O LYS A 85 -4.917 15.164 2.271 1.00 55.51 O ATOM 1411 CB LYS A 85 -6.950 13.498 4.234 1.00 10.34 C ATOM 1412 CG LYS A 85 -8.359 12.846 4.288 1.00 1.05 C ATOM 1413 CD LYS A 85 -9.021 12.927 5.688 1.00 50.21 C ATOM 1414 CE LYS A 85 -9.322 14.364 6.145 1.00 62.10 C ATOM 1415 NZ LYS A 85 -10.328 15.036 5.275 1.00 35.35 N ATOM 0 H LYS A 85 -5.884 11.269 3.799 1.00 1.20 H new ATOM 0 HA LYS A 85 -6.772 13.382 2.078 1.00 3.14 H new ATOM 0 HB2 LYS A 85 -6.376 13.164 5.099 1.00 10.34 H new ATOM 0 HB3 LYS A 85 -7.061 14.579 4.323 1.00 10.34 H new ATOM 0 HG2 LYS A 85 -9.006 13.335 3.559 1.00 1.05 H new ATOM 0 HG3 LYS A 85 -8.279 11.800 3.992 1.00 1.05 H new ATOM 0 HD2 LYS A 85 -9.950 12.357 5.675 1.00 50.21 H new ATOM 0 HD3 LYS A 85 -8.366 12.452 6.418 1.00 50.21 H new ATOM 0 HE2 LYS A 85 -9.687 14.347 7.172 1.00 62.10 H new ATOM 0 HE3 LYS A 85 -8.399 14.944 6.144 1.00 62.10 H new ATOM 0 HZ1 LYS A 85 -10.548 15.976 5.661 1.00 35.35 H new ATOM 0 HZ2 LYS A 85 -9.943 15.138 4.314 1.00 35.35 H new ATOM 0 HZ3 LYS A 85 -11.196 14.464 5.241 1.00 35.35 H new ATOM 1429 N ASP A 86 -3.785 13.592 3.452 1.00 22.31 N ATOM 1430 CA ASP A 86 -2.511 14.326 3.585 1.00 20.40 C ATOM 1431 C ASP A 86 -1.564 14.094 2.384 1.00 31.24 C ATOM 1432 O ASP A 86 -0.794 14.989 2.021 1.00 15.25 O ATOM 1433 CB ASP A 86 -1.823 13.877 4.906 1.00 72.33 C ATOM 1434 CG ASP A 86 -0.515 14.626 5.221 1.00 64.03 C ATOM 1435 OD1 ASP A 86 -0.584 15.721 5.811 1.00 0.40 O ATOM 1436 OD2 ASP A 86 0.581 14.114 4.909 1.00 41.41 O ATOM 0 H ASP A 86 -3.751 12.656 3.857 1.00 22.31 H new ATOM 0 HA ASP A 86 -2.729 15.394 3.605 1.00 20.40 H new ATOM 0 HB2 ASP A 86 -2.519 14.021 5.732 1.00 72.33 H new ATOM 0 HB3 ASP A 86 -1.613 12.809 4.848 1.00 72.33 H new ATOM 1441 N VAL A 87 -1.651 12.906 1.760 1.00 5.51 N ATOM 1442 CA VAL A 87 -0.632 12.396 0.804 1.00 21.53 C ATOM 1443 C VAL A 87 -0.482 13.302 -0.448 1.00 11.05 C ATOM 1444 O VAL A 87 0.634 13.562 -0.905 1.00 50.43 O ATOM 1445 CB VAL A 87 -0.943 10.896 0.396 1.00 43.22 C ATOM 1446 CG1 VAL A 87 -2.233 10.766 -0.431 1.00 24.43 C ATOM 1447 CG2 VAL A 87 0.239 10.228 -0.327 1.00 53.05 C ATOM 0 H VAL A 87 -2.431 12.264 1.900 1.00 5.51 H new ATOM 0 HA VAL A 87 0.328 12.420 1.319 1.00 21.53 H new ATOM 0 HB VAL A 87 -1.100 10.362 1.333 1.00 43.22 H new ATOM 0 HG11 VAL A 87 -2.399 9.719 -0.684 1.00 24.43 H new ATOM 0 HG12 VAL A 87 -3.077 11.137 0.150 1.00 24.43 H new ATOM 0 HG13 VAL A 87 -2.139 11.350 -1.347 1.00 24.43 H new ATOM 0 HG21 VAL A 87 -0.025 9.202 -0.585 1.00 53.05 H new ATOM 0 HG22 VAL A 87 0.470 10.783 -1.236 1.00 53.05 H new ATOM 0 HG23 VAL A 87 1.111 10.225 0.327 1.00 53.05 H new ATOM 1457 N LYS A 88 -1.611 13.800 -0.970 1.00 24.22 N ATOM 1458 CA LYS A 88 -1.633 14.702 -2.141 1.00 53.31 C ATOM 1459 C LYS A 88 -2.642 15.851 -1.944 1.00 53.43 C ATOM 1460 O LYS A 88 -2.926 16.606 -2.879 1.00 33.34 O ATOM 1461 CB LYS A 88 -1.859 13.876 -3.456 1.00 2.32 C ATOM 1462 CG LYS A 88 -2.986 12.807 -3.424 1.00 20.53 C ATOM 1463 CD LYS A 88 -4.418 13.382 -3.468 1.00 45.23 C ATOM 1464 CE LYS A 88 -4.704 14.187 -4.749 1.00 54.31 C ATOM 1465 NZ LYS A 88 -6.124 14.623 -4.831 1.00 63.23 N ATOM 0 H LYS A 88 -2.537 13.592 -0.596 1.00 24.22 H new ATOM 0 HA LYS A 88 -0.662 15.187 -2.243 1.00 53.31 H new ATOM 0 HB2 LYS A 88 -2.076 14.575 -4.264 1.00 2.32 H new ATOM 0 HB3 LYS A 88 -0.924 13.377 -3.709 1.00 2.32 H new ATOM 0 HG2 LYS A 88 -2.853 12.133 -4.270 1.00 20.53 H new ATOM 0 HG3 LYS A 88 -2.876 12.209 -2.519 1.00 20.53 H new ATOM 0 HD2 LYS A 88 -5.134 12.564 -3.392 1.00 45.23 H new ATOM 0 HD3 LYS A 88 -4.573 14.023 -2.600 1.00 45.23 H new ATOM 0 HE2 LYS A 88 -4.054 15.062 -4.779 1.00 54.31 H new ATOM 0 HE3 LYS A 88 -4.461 13.579 -5.620 1.00 54.31 H new ATOM 0 HZ1 LYS A 88 -6.232 15.311 -5.603 1.00 63.23 H new ATOM 0 HZ2 LYS A 88 -6.730 13.798 -5.015 1.00 63.23 H new ATOM 0 HZ3 LYS A 88 -6.404 15.064 -3.932 1.00 63.23 H new ATOM 1479 N GLY A 89 -3.174 15.968 -0.713 1.00 21.12 N ATOM 1480 CA GLY A 89 -3.984 17.127 -0.299 1.00 62.34 C ATOM 1481 C GLY A 89 -3.197 18.079 0.586 1.00 2.51 C ATOM 1482 O GLY A 89 -3.627 19.214 0.831 1.00 4.44 O ATOM 0 H GLY A 89 -3.055 15.266 0.018 1.00 21.12 H new ATOM 0 HA2 GLY A 89 -4.335 17.659 -1.183 1.00 62.34 H new ATOM 0 HA3 GLY A 89 -4.868 16.780 0.236 1.00 62.34 H new ATOM 1486 N SER A 90 -2.039 17.607 1.070 1.00 53.41 N ATOM 1487 CA SER A 90 -1.117 18.377 1.917 1.00 63.12 C ATOM 1488 C SER A 90 0.337 18.105 1.471 1.00 20.52 C ATOM 1489 O SER A 90 0.608 17.129 0.759 1.00 51.41 O ATOM 1490 CB SER A 90 -1.336 17.989 3.395 1.00 0.23 C ATOM 1491 OG SER A 90 -2.676 18.232 3.800 1.00 52.44 O ATOM 0 H SER A 90 -1.711 16.660 0.880 1.00 53.41 H new ATOM 0 HA SER A 90 -1.310 19.445 1.813 1.00 63.12 H new ATOM 0 HB2 SER A 90 -1.097 16.935 3.536 1.00 0.23 H new ATOM 0 HB3 SER A 90 -0.654 18.558 4.027 1.00 0.23 H new ATOM 0 HG SER A 90 -2.785 17.975 4.739 1.00 52.44 H new ATOM 1497 N GLY A 91 1.258 18.984 1.891 1.00 45.32 N ATOM 1498 CA GLY A 91 2.662 18.920 1.478 1.00 73.14 C ATOM 1499 C GLY A 91 3.355 20.253 1.691 1.00 70.41 C ATOM 1500 O GLY A 91 4.518 20.303 2.101 1.00 61.34 O ATOM 0 H GLY A 91 1.049 19.756 2.524 1.00 45.32 H new ATOM 0 HA2 GLY A 91 3.176 18.144 2.046 1.00 73.14 H new ATOM 0 HA3 GLY A 91 2.723 18.639 0.427 1.00 73.14 H new ATOM 1504 N LEU A 92 2.634 21.351 1.392 1.00 41.10 N ATOM 1505 CA LEU A 92 3.098 22.710 1.709 1.00 43.11 C ATOM 1506 C LEU A 92 2.973 22.921 3.227 1.00 13.40 C ATOM 1507 O LEU A 92 1.852 22.908 3.753 1.00 44.13 O ATOM 1508 CB LEU A 92 2.287 23.776 0.922 1.00 32.10 C ATOM 1509 CG LEU A 92 2.352 23.688 -0.638 1.00 20.12 C ATOM 1510 CD1 LEU A 92 1.592 24.857 -1.300 1.00 2.44 C ATOM 1511 CD2 LEU A 92 3.813 23.618 -1.145 1.00 24.20 C ATOM 0 H LEU A 92 1.725 21.320 0.930 1.00 41.10 H new ATOM 0 HA LEU A 92 4.140 22.824 1.409 1.00 43.11 H new ATOM 0 HB2 LEU A 92 1.243 23.703 1.225 1.00 32.10 H new ATOM 0 HB3 LEU A 92 2.638 24.763 1.223 1.00 32.10 H new ATOM 0 HG LEU A 92 1.858 22.761 -0.929 1.00 20.12 H new ATOM 0 HD11 LEU A 92 1.657 24.766 -2.384 1.00 2.44 H new ATOM 0 HD12 LEU A 92 0.546 24.830 -0.996 1.00 2.44 H new ATOM 0 HD13 LEU A 92 2.036 25.802 -0.988 1.00 2.44 H new ATOM 0 HD21 LEU A 92 3.818 23.558 -2.233 1.00 24.20 H new ATOM 0 HD22 LEU A 92 4.351 24.512 -0.829 1.00 24.20 H new ATOM 0 HD23 LEU A 92 4.300 22.735 -0.731 1.00 24.20 H new ATOM 1523 N GLU A 93 4.132 23.084 3.906 1.00 12.42 N ATOM 1524 CA GLU A 93 4.237 23.117 5.377 1.00 51.34 C ATOM 1525 C GLU A 93 3.880 21.718 5.950 1.00 22.24 C ATOM 1526 O GLU A 93 2.736 21.475 6.345 1.00 20.13 O ATOM 1527 CB GLU A 93 3.351 24.252 5.990 1.00 13.05 C ATOM 1528 CG GLU A 93 3.555 24.511 7.493 1.00 72.52 C ATOM 1529 CD GLU A 93 2.418 25.332 8.122 1.00 11.11 C ATOM 1530 OE1 GLU A 93 2.364 26.557 7.915 1.00 50.45 O ATOM 1531 OE2 GLU A 93 1.560 24.744 8.812 1.00 61.13 O ATOM 0 H GLU A 93 5.031 23.198 3.438 1.00 12.42 H new ATOM 0 HA GLU A 93 5.264 23.351 5.657 1.00 51.34 H new ATOM 0 HB2 GLU A 93 3.550 25.177 5.449 1.00 13.05 H new ATOM 0 HB3 GLU A 93 2.303 24.003 5.821 1.00 13.05 H new ATOM 0 HG2 GLU A 93 3.636 23.556 8.013 1.00 72.52 H new ATOM 0 HG3 GLU A 93 4.499 25.036 7.641 1.00 72.52 H new ATOM 1538 N HIS A 94 4.858 20.780 5.926 1.00 52.32 N ATOM 1539 CA HIS A 94 4.662 19.383 6.401 1.00 3.52 C ATOM 1540 C HIS A 94 5.506 19.124 7.671 1.00 21.40 C ATOM 1541 O HIS A 94 6.744 19.122 7.612 1.00 62.22 O ATOM 1542 CB HIS A 94 4.961 18.344 5.266 1.00 33.10 C ATOM 1543 CG HIS A 94 6.358 18.357 4.661 1.00 73.41 C ATOM 1544 ND1 HIS A 94 6.868 19.025 3.602 1.00 51.40 N flip ATOM 1545 CD2 HIS A 94 7.381 17.541 5.111 1.00 42.35 C flip ATOM 1546 CE1 HIS A 94 8.157 18.606 3.428 1.00 45.24 C flip ATOM 1547 NE2 HIS A 94 8.444 17.708 4.348 1.00 21.14 N flip ATOM 0 H HIS A 94 5.799 20.966 5.580 1.00 52.32 H new ATOM 0 HA HIS A 94 3.614 19.252 6.669 1.00 3.52 H new ATOM 0 HB2 HIS A 94 4.774 17.346 5.664 1.00 33.10 H new ATOM 0 HB3 HIS A 94 4.243 18.506 4.462 1.00 33.10 H new ATOM 0 HD1 HIS A 94 6.379 19.717 3.035 1.00 51.40 H new ATOM 0 HD2 HIS A 94 7.319 16.871 5.956 1.00 42.35 H new ATOM 0 HE1 HIS A 94 8.832 18.955 2.660 1.00 45.24 H new ATOM 1556 N HIS A 95 4.802 18.942 8.818 1.00 54.03 N ATOM 1557 CA HIS A 95 5.397 18.727 10.165 1.00 64.12 C ATOM 1558 C HIS A 95 6.277 19.920 10.599 1.00 44.03 C ATOM 1559 O HIS A 95 7.502 19.803 10.713 1.00 63.32 O ATOM 1560 CB HIS A 95 6.166 17.371 10.259 1.00 62.35 C ATOM 1561 CG HIS A 95 5.278 16.159 10.222 1.00 43.23 C ATOM 1562 ND1 HIS A 95 4.926 15.523 9.055 1.00 13.51 N ATOM 1563 CD2 HIS A 95 4.669 15.469 11.215 1.00 3.34 C ATOM 1564 CE1 HIS A 95 4.143 14.507 9.332 1.00 14.44 C ATOM 1565 NE2 HIS A 95 3.968 14.449 10.635 1.00 62.51 N ATOM 0 H HIS A 95 3.782 18.940 8.833 1.00 54.03 H new ATOM 0 HA HIS A 95 4.568 18.666 10.871 1.00 64.12 H new ATOM 0 HB2 HIS A 95 6.878 17.312 9.436 1.00 62.35 H new ATOM 0 HB3 HIS A 95 6.744 17.357 11.183 1.00 62.35 H new ATOM 0 HD2 HIS A 95 4.727 15.685 12.272 1.00 3.34 H new ATOM 0 HE1 HIS A 95 3.713 13.830 8.609 1.00 14.44 H new ATOM 0 HE2 HIS A 95 3.404 13.758 11.130 1.00 62.51 H new ATOM 1574 N HIS A 96 5.636 21.085 10.805 1.00 65.21 N ATOM 1575 CA HIS A 96 6.323 22.334 11.201 1.00 25.23 C ATOM 1576 C HIS A 96 5.933 22.737 12.628 1.00 22.24 C ATOM 1577 O HIS A 96 4.822 22.451 13.087 1.00 33.32 O ATOM 1578 CB HIS A 96 5.988 23.491 10.208 1.00 43.22 C ATOM 1579 CG HIS A 96 6.677 23.398 8.865 1.00 34.52 C ATOM 1580 ND1 HIS A 96 7.018 24.506 8.117 1.00 50.52 N ATOM 1581 CD2 HIS A 96 7.062 22.334 8.121 1.00 21.44 C ATOM 1582 CE1 HIS A 96 7.578 24.128 6.991 1.00 73.50 C ATOM 1583 NE2 HIS A 96 7.616 22.815 6.972 1.00 51.31 N ATOM 0 H HIS A 96 4.627 21.190 10.702 1.00 65.21 H new ATOM 0 HA HIS A 96 7.397 22.150 11.170 1.00 25.23 H new ATOM 0 HB2 HIS A 96 4.910 23.511 10.046 1.00 43.22 H new ATOM 0 HB3 HIS A 96 6.258 24.439 10.673 1.00 43.22 H new ATOM 0 HD2 HIS A 96 6.950 21.294 8.389 1.00 21.44 H new ATOM 0 HE1 HIS A 96 7.944 24.783 6.215 1.00 73.50 H new ATOM 0 HE2 HIS A 96 7.999 22.246 6.217 1.00 51.31 H new ATOM 1592 N HIS A 97 6.879 23.370 13.333 1.00 13.44 N ATOM 1593 CA HIS A 97 6.656 23.977 14.660 1.00 64.14 C ATOM 1594 C HIS A 97 6.504 25.513 14.510 1.00 63.30 C ATOM 1595 O HIS A 97 6.008 26.189 15.419 1.00 25.41 O ATOM 1596 CB HIS A 97 7.834 23.604 15.606 1.00 55.31 C ATOM 1597 CG HIS A 97 7.764 24.220 16.985 1.00 2.11 C ATOM 1598 ND1 HIS A 97 8.582 25.258 17.386 1.00 34.32 N ATOM 1599 CD2 HIS A 97 6.952 23.965 18.041 1.00 12.41 C ATOM 1600 CE1 HIS A 97 8.266 25.613 18.617 1.00 74.31 C ATOM 1601 NE2 HIS A 97 7.284 24.843 19.038 1.00 70.23 N ATOM 0 H HIS A 97 7.836 23.479 12.997 1.00 13.44 H new ATOM 0 HA HIS A 97 5.736 23.591 15.100 1.00 64.14 H new ATOM 0 HB2 HIS A 97 7.868 22.519 15.710 1.00 55.31 H new ATOM 0 HB3 HIS A 97 8.769 23.908 15.135 1.00 55.31 H new ATOM 0 HD1 HIS A 97 9.316 25.684 16.819 1.00 34.32 H new ATOM 0 HD2 HIS A 97 6.184 23.208 18.087 1.00 12.41 H new ATOM 0 HE1 HIS A 97 8.735 26.403 19.185 1.00 74.31 H new ATOM 1610 N HIS A 98 6.954 26.029 13.342 1.00 32.02 N ATOM 1611 CA HIS A 98 6.889 27.452 12.936 1.00 35.24 C ATOM 1612 C HIS A 98 7.944 28.314 13.673 1.00 43.42 C ATOM 1613 O HIS A 98 8.800 28.929 13.029 1.00 53.11 O ATOM 1614 CB HIS A 98 5.465 28.069 13.062 1.00 15.21 C ATOM 1615 CG HIS A 98 5.349 29.469 12.498 1.00 50.24 C ATOM 1616 ND1 HIS A 98 5.052 30.578 13.262 1.00 73.23 N ATOM 1617 CD2 HIS A 98 5.501 29.931 11.231 1.00 45.12 C ATOM 1618 CE1 HIS A 98 5.024 31.648 12.493 1.00 41.42 C ATOM 1619 NE2 HIS A 98 5.291 31.280 11.258 1.00 41.44 N ATOM 0 H HIS A 98 7.389 25.443 12.630 1.00 32.02 H new ATOM 0 HA HIS A 98 7.131 27.462 11.873 1.00 35.24 H new ATOM 0 HB2 HIS A 98 4.753 27.422 12.550 1.00 15.21 H new ATOM 0 HB3 HIS A 98 5.180 28.087 14.114 1.00 15.21 H new ATOM 0 HD2 HIS A 98 5.744 29.340 10.360 1.00 45.12 H new ATOM 0 HE1 HIS A 98 4.817 32.656 12.821 1.00 41.42 H new ATOM 0 HE2 HIS A 98 5.334 31.902 10.451 1.00 41.44 H new ATOM 1628 N HIS A 99 7.854 28.371 15.015 1.00 75.32 N ATOM 1629 CA HIS A 99 8.787 29.134 15.871 1.00 54.53 C ATOM 1630 C HIS A 99 10.215 28.518 15.823 1.00 74.23 C ATOM 1631 O HIS A 99 11.096 29.076 15.143 1.00 51.45 O ATOM 1632 CB HIS A 99 8.242 29.182 17.324 1.00 12.13 C ATOM 1633 CG HIS A 99 9.069 30.013 18.276 1.00 14.41 C ATOM 1634 ND1 HIS A 99 10.162 29.514 18.941 1.00 43.34 N ATOM 1635 CD2 HIS A 99 8.952 31.302 18.677 1.00 5.20 C ATOM 1636 CE1 HIS A 99 10.673 30.450 19.708 1.00 12.22 C ATOM 1637 NE2 HIS A 99 9.958 31.544 19.571 1.00 72.34 N ATOM 1638 OXT HIS A 99 10.436 27.463 16.459 1.00 38.36 O ATOM 0 H HIS A 99 7.127 27.886 15.541 1.00 75.32 H new ATOM 0 HA HIS A 99 8.862 30.154 15.494 1.00 54.53 H new ATOM 0 HB2 HIS A 99 7.226 29.577 17.305 1.00 12.13 H new ATOM 0 HB3 HIS A 99 8.181 28.164 17.709 1.00 12.13 H new ATOM 0 HD2 HIS A 99 8.203 32.008 18.351 1.00 5.20 H new ATOM 0 HE1 HIS A 99 11.538 30.339 20.346 1.00 12.22 H new ATOM 0 HE2 HIS A 99 10.126 32.428 20.052 1.00 72.34 H new TER 1647 HIS A 99